[(1R,2S,10R,11R,12S)-5-methyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-10-yl]methanol

C16H21NO — CID 46177807

IUPAC[(1R,2S,10R,11R,12S)-5-methyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-10-yl]methanol
SMILESCc1ccc2c(c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@H]1[C@H](CO)N2
InChIInChI=1S/C16H21NO/c1-9-2-5-13-12(6-9)15-10-3-4-11(7-10)16(15)14(8-18)17-13/h2,5-6,10-11,14-18H,3-4,7-8H2,1H3/t10-,11+,14+,15-,16+/m1/s1
InChIKeyBLSFIZRRTQYQOM-ZEDHKUJTSA-N
MW243.35 g/mol
LogP2.91
Rot. Bonds1

About [(1R,2S,10R,11R,12S)-5-methyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-10-yl]methanol

[(1R,2S,10R,11R,12S)-5-methyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-10-yl]methanol (PubChem CID 46177807) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is [(1R,2S,10R,11R,12S)-5-methyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-10-yl]methanol.

Molecular Properties

Compound Name[(1R,2S,10R,11R,12S)-5-methyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-10-yl]methanol
PubChem CID46177807
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name[(1R,2S,10R,11R,12S)-5-methyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-10-yl]methanol
SMILESCc1ccc2c(c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@H]1[C@H](CO)N2
InChIInChI=1S/C16H21NO/c1-9-2-5-13-12(6-9)15-10-3-4-11(7-10)16(15)14(8-18)17-13/h2,5-6,10-11,14-18H,3-4,7-8H2,1H3/t10-,11+,14+,15-,16+/m1/s1
InChIKeyBLSFIZRRTQYQOM-ZEDHKUJTSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R,2S,10R,11R,12S)-5-methyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-10-yl]methanol with MolForge

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Related Compounds

(1S,2R,10R,11S,12S)-10-(2,5-dimethylphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxylic acid
CID 126002378
5-methyl-10λ6-thia-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene 10,10-dioxide
CID 5296323
(1S,2R,11R,12S)-5-methyl-10λ6-thia-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene 10,10-dioxide
CID 124714721
10-(4-methylphenyl)-N-prop-1-en-2-yl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-5-amine
CID 89240952
(1S,2R,10R,11S,12S)-N-(3-methylphenyl)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
CID 126129638
4-[(3aS,4R,9bS)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]butan-1-ol
CID 101173420
N,N-dimethyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
CID 5195207
methyl (1S,2R,10S,11R,12S)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxylate
CID 124773025
(1R,2R,10R,11S,12S)-10-phenyl-N-propyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
CID 11891336
4-[(1S,2R,10R,11R,12S)-5-ethyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-10-yl]benzoic acid
CID 124835058
4-[(1S,2R,10S,11R,12S)-5-acetyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-10-yl]benzoic acid
CID 124828675
(1S,2R,10S,11S,12S)-N-tert-butyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
CID 99719497

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,10R,11R,12S)-5-methyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-10-yl]methanol?
The IUPAC name of [(1R,2S,10R,11R,12S)-5-methyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-10-yl]methanol (CID 46177807) is [(1R,2S,10R,11R,12S)-5-methyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-10-yl]methanol.
What is the SMILES notation for [(1R,2S,10R,11R,12S)-5-methyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-10-yl]methanol?
The canonical SMILES for [(1R,2S,10R,11R,12S)-5-methyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-10-yl]methanol is Cc1ccc2c(c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@H]1[C@H](CO)N2.
What is the InChIKey of [(1R,2S,10R,11R,12S)-5-methyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-10-yl]methanol?
The InChIKey is BLSFIZRRTQYQOM-ZEDHKUJTSA-N. The full InChI is InChI=1S/C16H21NO/c1-9-2-5-13-12(6-9)15-10-3-4-11(7-10)16(15)14(8-18)17-13/h2,5-6,10-11,14-18H,3-4,7-8H2,1H3/t10-,11+,14+,15-,16+/m1/s1.
What are the key properties of [(1R,2S,10R,11R,12S)-5-methyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-10-yl]methanol?
[(1R,2S,10R,11R,12S)-5-methyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-10-yl]methanol has a molecular weight of 243.35 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,10R,11R,12S)-5-methyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-10-yl]methanol is sourced from PubChem (CID 46177807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).