methyl 2-(1-hydroxycyclopentyl)-1H-indole-5-carboxylate

C15H17NO3 — CID 86068017

IUPACmethyl 2-(1-hydroxycyclopentyl)-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(C3(O)CCCC3)cc2c1
InChIInChI=1S/C15H17NO3/c1-19-14(17)10-4-5-12-11(8-10)9-13(16-12)15(18)6-2-3-7-15/h4-5,8-9,16,18H,2-3,6-7H2,1H3
InChIKeySAEPYYHQCNSDRY-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.72
Rot. Bonds2

About methyl 2-(1-hydroxycyclopentyl)-1H-indole-5-carboxylate

methyl 2-(1-hydroxycyclopentyl)-1H-indole-5-carboxylate (PubChem CID 86068017) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 2-(1-hydroxycyclopentyl)-1H-indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-hydroxycyclopentyl)-1H-indole-5-carboxylate
PubChem CID86068017
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 2-(1-hydroxycyclopentyl)-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(C3(O)CCCC3)cc2c1
InChIInChI=1S/C15H17NO3/c1-19-14(17)10-4-5-12-11(8-10)9-13(16-12)15(18)6-2-3-7-15/h4-5,8-9,16,18H,2-3,6-7H2,1H3
InChIKeySAEPYYHQCNSDRY-UHFFFAOYSA-N
XLogP2.72
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-chloro-1H-indole-5-carboxylate
CID 139461467
methyl 4-(1-hydroxycyclopentyl)benzoate
CID 130120514
methyl 2-cyano-1H-indole-5-carboxylate
CID 129095297
methyl 2-(4-aminophenyl)-1H-indole-5-carboxylate
CID 69224754
methyl 4-(cyclopentylamino)-3-methylbenzoate
CID 43730521
methyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate
CID 113207244
methyl spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopentane]-7-carboxylate
CID 115100069
methyl 3-[(2S)-2-methylpyrrolidin-1-yl]-2-oxo-1H-quinoline-6-carboxylate
CID 141344725
methyl 3-(1-hydroxycyclopropyl)benzoate
CID 130756683
methyl 3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 91650435
methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 11344717
methyl 3-methyl-4-[(3-methylpiperidine-3-carbonyl)amino]benzoate
CID 63130618

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-hydroxycyclopentyl)-1H-indole-5-carboxylate?
The IUPAC name of methyl 2-(1-hydroxycyclopentyl)-1H-indole-5-carboxylate (CID 86068017) is methyl 2-(1-hydroxycyclopentyl)-1H-indole-5-carboxylate.
What is the SMILES notation for methyl 2-(1-hydroxycyclopentyl)-1H-indole-5-carboxylate?
The canonical SMILES for methyl 2-(1-hydroxycyclopentyl)-1H-indole-5-carboxylate is COC(=O)c1ccc2[nH]c(C3(O)CCCC3)cc2c1.
What is the InChIKey of methyl 2-(1-hydroxycyclopentyl)-1H-indole-5-carboxylate?
The InChIKey is SAEPYYHQCNSDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-19-14(17)10-4-5-12-11(8-10)9-13(16-12)15(18)6-2-3-7-15/h4-5,8-9,16,18H,2-3,6-7H2,1H3.
What are the key properties of methyl 2-(1-hydroxycyclopentyl)-1H-indole-5-carboxylate?
methyl 2-(1-hydroxycyclopentyl)-1H-indole-5-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-hydroxycyclopentyl)-1H-indole-5-carboxylate is sourced from PubChem (CID 86068017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).