(7-cyano-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamic acid

C13H11N3O2 — CID 67025334

IUPAC(7-cyano-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamic acid
SMILESN#Cc1ccc2[nH]c3c(c2c1)CC(NC(=O)O)C3
InChIInChI=1S/C13H11N3O2/c14-6-7-1-2-11-9(3-7)10-4-8(15-13(17)18)5-12(10)16-11/h1-3,8,15-16H,4-5H2,(H,17,18)
InChIKeyWLNWBRRUSXTXME-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.77
Rot. Bonds1

About (7-cyano-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamic acid

(7-cyano-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamic acid (PubChem CID 67025334) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is (7-cyano-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamic acid.

Molecular Properties

Compound Name(7-cyano-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamic acid
PubChem CID67025334
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name(7-cyano-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamic acid
SMILESN#Cc1ccc2[nH]c3c(c2c1)CC(NC(=O)O)C3
InChIInChI=1S/C13H11N3O2/c14-6-7-1-2-11-9(3-7)10-4-8(15-13(17)18)5-12(10)16-11/h1-3,8,15-16H,4-5H2,(H,17,18)
InChIKeyWLNWBRRUSXTXME-UHFFFAOYSA-N
XLogP1.77
TPSA88.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile;hydrochloride
CID 68655128
N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide
CID 84581192
2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid
CID 20529231
4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579471
2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
CID 84582539
N-[2-[(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)amino]-2-oxoethyl]benzamide
CID 84579834
[(3R)-6-cyano-2,3,4,9-tetrahydro-1H-carbazol-3-yl] 4-methylbenzenesulfonate
CID 124585086
N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-2-(trifluoromethyl)benzamide
CID 84579548
molecular iodine;propan-2-yl N-[(2S)-7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate;propan-2-yl N-[(2S)-7-cyano-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]carbamate;pyridin-2-ylmethanol;triiodide
CID 160968572
methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate
CID 84581597
N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)cyclohexanecarboxamide
CID 84580174
2-(1,3-dioxoisoindol-2-yl)-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carbonitrile;2-(3-oxocyclopentyl)isoindole-1,3-dione
CID 161108130

Frequently Asked Questions

What is the IUPAC name of (7-cyano-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamic acid?
The IUPAC name of (7-cyano-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamic acid (CID 67025334) is (7-cyano-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamic acid.
What is the SMILES notation for (7-cyano-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamic acid?
The canonical SMILES for (7-cyano-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamic acid is N#Cc1ccc2[nH]c3c(c2c1)CC(NC(=O)O)C3.
What is the InChIKey of (7-cyano-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamic acid?
The InChIKey is WLNWBRRUSXTXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c14-6-7-1-2-11-9(3-7)10-4-8(15-13(17)18)5-12(10)16-11/h1-3,8,15-16H,4-5H2,(H,17,18).
What are the key properties of (7-cyano-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamic acid?
(7-cyano-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamic acid has a molecular weight of 241.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-cyano-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamic acid is sourced from PubChem (CID 67025334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).