9H-pyrido[3,4-b]indol-1-yl carbamate

C12H9N3O2 — CID 91488177

IUPAC9H-pyrido[3,4-b]indol-1-yl carbamate
SMILESNC(=O)Oc1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C12H9N3O2/c13-12(16)17-11-10-8(5-6-14-11)7-3-1-2-4-9(7)15-10/h1-6,15H,(H2,13,16)
InChIKeyDVNHSLXTWVVWIG-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.17
Rot. Bonds1

About 9H-pyrido[3,4-b]indol-1-yl carbamate

9H-pyrido[3,4-b]indol-1-yl carbamate (PubChem CID 91488177) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 9H-pyrido[3,4-b]indol-1-yl carbamate.

Molecular Properties

Compound Name9H-pyrido[3,4-b]indol-1-yl carbamate
PubChem CID91488177
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name9H-pyrido[3,4-b]indol-1-yl carbamate
SMILESNC(=O)Oc1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C12H9N3O2/c13-12(16)17-11-10-8(5-6-14-11)7-3-1-2-4-9(7)15-10/h1-6,15H,(H2,13,16)
InChIKeyDVNHSLXTWVVWIG-UHFFFAOYSA-N
XLogP2.17
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,11-dimethyl-6H-pyrido[4,3-b]carbazole-1-carboxamide;hydrochloride
CID 5351320
2-quinolin-4-yl-9H-carbazole-1-carboxamide
CID 66606308
9H-carbazole-1-carboxamide;hydrochloride
CID 141272518
(2S)-2-hydroxy-3-(9H-pyrido[3,4-b]indol-1-yl)propanoic acid
CID 163185799
methyl 2,3-diacetyloxy-3-(9H-pyrido[3,4-b]indol-1-yl)propanoate
CID 135060684
1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
CID 46781679
N-(9H-pyrido[3,4-b]indol-1-yl)formamide
CID 174580946
bis(1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole);propan-2-one
CID 139046282
4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
CID 5257090
(3R,4S)-3,4,5-trihydroxy-1-(9H-pyrido[3,4-b]indol-1-yl)pentan-1-one
CID 15286683
1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole
CID 151654527
1-(3-methylbut-2-enyl)-9H-pyrido[3,4-b]indole
CID 163409626

Frequently Asked Questions

What is the IUPAC name of 9H-pyrido[3,4-b]indol-1-yl carbamate?
The IUPAC name of 9H-pyrido[3,4-b]indol-1-yl carbamate (CID 91488177) is 9H-pyrido[3,4-b]indol-1-yl carbamate.
What is the SMILES notation for 9H-pyrido[3,4-b]indol-1-yl carbamate?
The canonical SMILES for 9H-pyrido[3,4-b]indol-1-yl carbamate is NC(=O)Oc1nccc2c1[nH]c1ccccc12.
What is the InChIKey of 9H-pyrido[3,4-b]indol-1-yl carbamate?
The InChIKey is DVNHSLXTWVVWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c13-12(16)17-11-10-8(5-6-14-11)7-3-1-2-4-9(7)15-10/h1-6,15H,(H2,13,16).
What are the key properties of 9H-pyrido[3,4-b]indol-1-yl carbamate?
9H-pyrido[3,4-b]indol-1-yl carbamate has a molecular weight of 227.22 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-pyrido[3,4-b]indol-1-yl carbamate is sourced from PubChem (CID 91488177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).