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

C13H12ClNO2 — CID 71384182

IUPAC2-(7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetic acid
SMILESO=C(O)CC1Cc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C13H12ClNO2/c14-8-1-2-11-10(6-8)9-3-7(5-13(16)17)4-12(9)15-11/h1-2,6-7,15H,3-5H2,(H,16,17)
InChIKeyIACXEBFPIILYEY-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.01
Rot. Bonds2

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

2-(7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetic acid (PubChem CID 71384182) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-(7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetic acid
PubChem CID71384182
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name2-(7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetic acid
SMILESO=C(O)CC1Cc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C13H12ClNO2/c14-8-1-2-11-10(6-8)9-3-7(5-13(16)17)4-12(9)15-11/h1-2,6-7,15H,3-5H2,(H,16,17)
InChIKeyIACXEBFPIILYEY-UHFFFAOYSA-N
XLogP3.01
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)methyl]propanedioic acid
CID 23463663
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 21452712
(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanamine
CID 69235228
2-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-2-yl]acetic acid
CID 154108491
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
CID 113096950
2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(3S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]acetamide
CID 92757868
(3-chlorophenyl)-[6-(ethylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone
CID 18972114
9-chloro-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole-2-carboxylic acid
CID 90294086
1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea
CID 113096999
6-chloro-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazole-2-carboxamide
CID 11638914
ethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate
CID 11470561
diethyl 2-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-2-(trideuteriomethyl)propanedioate
CID 45039002

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetic acid?
The IUPAC name of 2-(7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetic acid (CID 71384182) is 2-(7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetic acid.
What is the SMILES notation for 2-(7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetic acid?
The canonical SMILES for 2-(7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetic acid is O=C(O)CC1Cc2[nH]c3ccc(Cl)cc3c2C1.
What is the InChIKey of 2-(7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetic acid?
The InChIKey is IACXEBFPIILYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c14-8-1-2-11-10(6-8)9-3-7(5-13(16)17)4-12(9)15-11/h1-2,6-7,15H,3-5H2,(H,16,17).
What are the key properties of 2-(7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetic acid?
2-(7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetic acid has a molecular weight of 249.70 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetic acid is sourced from PubChem (CID 71384182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).