methyl N-[(4R,7S)-1-tricyclo[5.2.1.04,10]decanyl]carbamate

C12H19NO2 — CID 94036929

IUPACmethyl N-[(4R,7S)-1-tricyclo[5.2.1.04,10]decanyl]carbamate
SMILESCOC(=O)NC12CC[C@H]3CC[C@@H](CC1)C32
InChIInChI=1S/C12H19NO2/c1-15-11(14)13-12-6-4-8-2-3-9(5-7-12)10(8)12/h8-10H,2-7H2,1H3,(H,13,14)/t8-,9+,10?,12?
InChIKeyXRKQDMZKLRBVKI-GJYTXDDASA-N
MW209.29 g/mol
LogP2.31
Rot. Bonds1

About methyl N-[(4R,7S)-1-tricyclo[5.2.1.04,10]decanyl]carbamate

methyl N-[(4R,7S)-1-tricyclo[5.2.1.04,10]decanyl]carbamate (PubChem CID 94036929) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is methyl N-[(4R,7S)-1-tricyclo[5.2.1.04,10]decanyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(4R,7S)-1-tricyclo[5.2.1.04,10]decanyl]carbamate
PubChem CID94036929
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Namemethyl N-[(4R,7S)-1-tricyclo[5.2.1.04,10]decanyl]carbamate
SMILESCOC(=O)NC12CC[C@H]3CC[C@@H](CC1)C32
InChIInChI=1S/C12H19NO2/c1-15-11(14)13-12-6-4-8-2-3-9(5-7-12)10(8)12/h8-10H,2-7H2,1H3,(H,13,14)/t8-,9+,10?,12?
InChIKeyXRKQDMZKLRBVKI-GJYTXDDASA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate
CID 19883846
methyl N-(1-azabicyclo[2.2.2]octan-4-yl)carbamate
CID 130007998
2,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 64756805
(1R)-2-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 138111325
methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate
CID 63766942
trans-(1R,2S)-2-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 20767946
methyl N-(1-carbonochloridoylcyclohexyl)carbamate
CID 88817700
dimethyl 15,16-diazahexacyclo[6.6.2.13,6.110,13.02,7.09,14]octadec-15-ene-1,8-dicarboxylate
CID 15419164
methyl 1-amino-3-fluorocyclopentane-1-carboxylate
CID 115012639
methyl N-[1-(aminomethyl)cyclohexyl]carbamate
CID 63765596
dimethyl (1S,2R,3S,4S,5S,8R,9R,10R,11S,12R)-hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadec-6-ene-3,10-dicarboxylate
CID 10758670
methyl N-[(1S,6S)-6-iodo-1-methylcyclohex-3-en-1-yl]carbamate
CID 90481983

Frequently Asked Questions

What is the IUPAC name of methyl N-[(4R,7S)-1-tricyclo[5.2.1.04,10]decanyl]carbamate?
The IUPAC name of methyl N-[(4R,7S)-1-tricyclo[5.2.1.04,10]decanyl]carbamate (CID 94036929) is methyl N-[(4R,7S)-1-tricyclo[5.2.1.04,10]decanyl]carbamate.
What is the SMILES notation for methyl N-[(4R,7S)-1-tricyclo[5.2.1.04,10]decanyl]carbamate?
The canonical SMILES for methyl N-[(4R,7S)-1-tricyclo[5.2.1.04,10]decanyl]carbamate is COC(=O)NC12CC[C@H]3CC[C@@H](CC1)C32.
What is the InChIKey of methyl N-[(4R,7S)-1-tricyclo[5.2.1.04,10]decanyl]carbamate?
The InChIKey is XRKQDMZKLRBVKI-GJYTXDDASA-N. The full InChI is InChI=1S/C12H19NO2/c1-15-11(14)13-12-6-4-8-2-3-9(5-7-12)10(8)12/h8-10H,2-7H2,1H3,(H,13,14)/t8-,9+,10?,12?.
What are the key properties of methyl N-[(4R,7S)-1-tricyclo[5.2.1.04,10]decanyl]carbamate?
methyl N-[(4R,7S)-1-tricyclo[5.2.1.04,10]decanyl]carbamate has a molecular weight of 209.29 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4R,7S)-1-tricyclo[5.2.1.04,10]decanyl]carbamate is sourced from PubChem (CID 94036929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).