2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid

C13H14N2O2 — CID 20529231

IUPAC2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid
SMILESO=C(O)NC1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C13H14N2O2/c16-13(17)14-8-5-6-10-9-3-1-2-4-11(9)15-12(10)7-8/h1-4,8,14-15H,5-7H2,(H,16,17)
InChIKeyXMAJDNMSRRWUGB-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.29
Rot. Bonds1

About 2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid

2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid (PubChem CID 20529231) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid.

Molecular Properties

Compound Name2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid
PubChem CID20529231
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid
SMILESO=C(O)NC1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C13H14N2O2/c16-13(17)14-8-5-6-10-9-3-1-2-4-11(9)15-12(10)7-8/h1-4,8,14-15H,5-7H2,(H,16,17)
InChIKeyXMAJDNMSRRWUGB-UHFFFAOYSA-N
XLogP2.29
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 20529236
2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide
CID 84581853
2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84580106
2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84579227
N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)naphthalene-1-carboxamide
CID 84579674
2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 84580171
methyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
CID 12762686
(2S)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
CID 86306921
N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide
CID 84580220
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517
3-(3,4-dimethoxyphenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide
CID 84582066
methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate
CID 84581597

Frequently Asked Questions

What is the IUPAC name of 2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid?
The IUPAC name of 2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid (CID 20529231) is 2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid.
What is the SMILES notation for 2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid?
The canonical SMILES for 2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid is O=C(O)NC1CCc2c([nH]c3ccccc23)C1.
What is the InChIKey of 2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid?
The InChIKey is XMAJDNMSRRWUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-13(17)14-8-5-6-10-9-3-1-2-4-11(9)15-12(10)7-8/h1-4,8,14-15H,5-7H2,(H,16,17).
What are the key properties of 2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid?
2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid has a molecular weight of 230.27 g/mol, XLogP of 2.29, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid is sourced from PubChem (CID 20529231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).