cis-(1S,3R)-3-(4-chloro-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carboxylic acid

C15H16ClNO3 — CID 164637638

IUPACcis-(1S,3R)-3-(4-chloro-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C(=O)N2CCc3c(Cl)cccc32)C1
InChIInChI=1S/C15H16ClNO3/c16-12-2-1-3-13-11(12)6-7-17(13)14(18)9-4-5-10(8-9)15(19)20/h1-3,9-10H,4-8H2,(H,19,20)/t9-,10+/m1/s1
InChIKeyRCHVJBYVTMHYBC-ZJUUUORDSA-N
MW293.75 g/mol
LogP2.73
Rot. Bonds2

About cis-(1S,3R)-3-(4-chloro-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-(4-chloro-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 164637638) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is cis-(1S,3R)-3-(4-chloro-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-(4-chloro-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID164637638
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Namecis-(1S,3R)-3-(4-chloro-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C(=O)N2CCc3c(Cl)cccc32)C1
InChIInChI=1S/C15H16ClNO3/c16-12-2-1-3-13-11(12)6-7-17(13)14(18)9-4-5-10(8-9)15(19)20/h1-3,9-10H,4-8H2,(H,19,20)/t9-,10+/m1/s1
InChIKeyRCHVJBYVTMHYBC-ZJUUUORDSA-N
XLogP2.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(4-chloro-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-(4-chloro-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carboxylic acid (CID 164637638) is cis-(1S,3R)-3-(4-chloro-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-(4-chloro-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-(4-chloro-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carboxylic acid is O=C(O)[C@H]1CC[C@@H](C(=O)N2CCc3c(Cl)cccc32)C1.
What is the InChIKey of cis-(1S,3R)-3-(4-chloro-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is RCHVJBYVTMHYBC-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H16ClNO3/c16-12-2-1-3-13-11(12)6-7-17(13)14(18)9-4-5-10(8-9)15(19)20/h1-3,9-10H,4-8H2,(H,19,20)/t9-,10+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(4-chloro-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-(4-chloro-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 293.75 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(4-chloro-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 164637638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).