(12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-yl)methanol

C19H19NO — CID 10850160

IUPAC(12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-yl)methanol
SMILESCn1c2c(c3ccccc31)C(CO)c1ccccc1CC2
InChIInChI=1S/C19H19NO/c1-20-17-9-5-4-8-15(17)19-16(12-21)14-7-3-2-6-13(14)10-11-18(19)20/h2-9,16,21H,10-12H2,1H3
InChIKeySROKLWUSFATQMA-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.40
Rot. Bonds1

About (12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-yl)methanol

(12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-yl)methanol (PubChem CID 10850160) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is (12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-yl)methanol.

Molecular Properties

Compound Name(12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-yl)methanol
PubChem CID10850160
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name(12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-yl)methanol
SMILESCn1c2c(c3ccccc31)C(CO)c1ccccc1CC2
InChIInChI=1S/C19H19NO/c1-20-17-9-5-4-8-15(17)19-16(12-21)14-7-3-2-6-13(14)10-11-18(19)20/h2-9,16,21H,10-12H2,1H3
InChIKeySROKLWUSFATQMA-UHFFFAOYSA-N
XLogP3.40
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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CID 140999060
9-methyl-3-(methylaminomethyl)-1,2,3,4-tetrahydrocarbazol-4-ol
CID 71188000
(4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
CID 129405918
[2-(hydroxymethyl)-4,9-dimethyl-3,4-dihydro-1H-carbazol-2-yl]methanol
CID 101402241
(1S,12S)-9,20-dimethyl-9,20-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-2(10),3,5,7,13(21),14,16,18-octaene
CID 102058604
4-(hydroxymethyl)-6-methyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione
CID 10308292
5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-1-carboxamide
CID 23559680
12,21-dimethyl-12,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),4,6,8,15,17,19-heptaene
CID 122365826
N-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine
CID 603347
ethyl 2-(12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-ylidene)acetate
CID 162807730
ethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol
CID 145187913
2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium
CID 7009453

Frequently Asked Questions

What is the IUPAC name of (12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-yl)methanol?
The IUPAC name of (12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-yl)methanol (CID 10850160) is (12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-yl)methanol.
What is the SMILES notation for (12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-yl)methanol?
The canonical SMILES for (12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-yl)methanol is Cn1c2c(c3ccccc31)C(CO)c1ccccc1CC2.
What is the InChIKey of (12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-yl)methanol?
The InChIKey is SROKLWUSFATQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-20-17-9-5-4-8-15(17)19-16(12-21)14-7-3-2-6-13(14)10-11-18(19)20/h2-9,16,21H,10-12H2,1H3.
What are the key properties of (12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-yl)methanol?
(12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-yl)methanol has a molecular weight of 277.37 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-yl)methanol is sourced from PubChem (CID 10850160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).