(3-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)carbamic acid

C13H13ClN2O2 — CID 121468844

IUPAC(3-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)carbamic acid
SMILESO=C(O)NC1CCc2cc3ccc(Cl)cc3n2C1
InChIInChI=1S/C13H13ClN2O2/c14-9-2-1-8-5-11-4-3-10(15-13(17)18)7-16(11)12(8)6-9/h1-2,5-6,10,15H,3-4,7H2,(H,17,18)
InChIKeyJBZLSKCCQXCBBE-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.88
Rot. Bonds1

About (3-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)carbamic acid

(3-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)carbamic acid (PubChem CID 121468844) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is (3-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)carbamic acid.

Molecular Properties

Compound Name(3-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)carbamic acid
PubChem CID121468844
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name(3-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)carbamic acid
SMILESO=C(O)NC1CCc2cc3ccc(Cl)cc3n2C1
InChIInChI=1S/C13H13ClN2O2/c14-9-2-1-8-5-11-4-3-10(15-13(17)18)7-16(11)12(8)6-9/h1-2,5-6,10,15H,3-4,7H2,(H,17,18)
InChIKeyJBZLSKCCQXCBBE-UHFFFAOYSA-N
XLogP2.88
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-1H,2H,3H,4H-pyrazino[1,2-a]indole
CID 14595512
7-chloro-1H,2H,3H,4H-pyrazino[1,2-a]indole
CID 21868720
6-Chloro-1,2,3,4-tetrahydro-pyrazino[1,2-a]indole
CID 44287208
methyl [(5-chloro-1H-indol-2-yl)methyl]carbamate
CID 1245948
8-Chloro-10-methyl-1,2,3,4-tetrahydro-pyrazino[1,2-a]indole
CID 14595518
1-({1-[(4-Chlorophenyl)methyl]-1H-indol-2-YL}methyl)-N-cyclopropylpiperidine-4-carboxamide
CID 44522265
2-acetyl-1-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 10496241
1-[(1-benzyl-1H-indol-2-yl)methyl]-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 16033113
3-[1-(4-Chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propanoic acid
CID 122192182
Carbazole, 2-chloro-9-(2-dimethylaminoethyl)-, hydrochloride
CID 38977
Carbazole, 2-chloro-9-(3-dimethylaminopropyl)-, oxalate
CID 38981
Carbazole, 3-chloro-9-(2-pyrrolidinoethyl)-, oxalate
CID 38985

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)carbamic acid?
The IUPAC name of (3-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)carbamic acid (CID 121468844) is (3-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)carbamic acid.
What is the SMILES notation for (3-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)carbamic acid?
The canonical SMILES for (3-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)carbamic acid is O=C(O)NC1CCc2cc3ccc(Cl)cc3n2C1.
What is the InChIKey of (3-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)carbamic acid?
The InChIKey is JBZLSKCCQXCBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-9-2-1-8-5-11-4-3-10(15-13(17)18)7-16(11)12(8)6-9/h1-2,5-6,10,15H,3-4,7H2,(H,17,18).
What are the key properties of (3-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)carbamic acid?
(3-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)carbamic acid has a molecular weight of 264.71 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)carbamic acid is sourced from PubChem (CID 121468844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).