(2-methylcyclopentyl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone

C18H23NO2 — CID 107176640

IUPAC(2-methylcyclopentyl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
SMILESCC(C)Oc1ccc2[nH]cc(C(=O)C3CCCC3C)c2c1
InChIInChI=1S/C18H23NO2/c1-11(2)21-13-7-8-17-15(9-13)16(10-19-17)18(20)14-6-4-5-12(14)3/h7-12,14,19H,4-6H2,1-3H3
InChIKeyQWDWKCOLBMCLDD-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.57
Rot. Bonds4

About (2-methylcyclopentyl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone

(2-methylcyclopentyl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone (PubChem CID 107176640) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2-methylcyclopentyl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-methylcyclopentyl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
PubChem CID107176640
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(2-methylcyclopentyl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
SMILESCC(C)Oc1ccc2[nH]cc(C(=O)C3CCCC3C)c2c1
InChIInChI=1S/C18H23NO2/c1-11(2)21-13-7-8-17-15(9-13)16(10-19-17)18(20)14-6-4-5-12(14)3/h7-12,14,19H,4-6H2,1-3H3
InChIKeyQWDWKCOLBMCLDD-UHFFFAOYSA-N
XLogP4.57
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-2-(5-propan-2-yloxy-1H-indol-3-yl)acetic acid
CID 80502669
(2-methylfuran-3-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 80649113
(3-methylfuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 80649119
phenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 80649114
(2-methylcyclopentyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 107187372
3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid
CID 103551734
(5-bromofuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 80649231
cyclohexyl-(5-propoxy-1H-indol-3-yl)methanone
CID 80649092
5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91757486
(2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176454
oxolan-2-yl-(5-propoxy-1H-indol-3-yl)methanone
CID 80643741
(E)-1-chloro-4-(5-propan-2-yloxy-1H-indol-3-yl)but-3-en-2-one
CID 80643882

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopentyl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone?
The IUPAC name of (2-methylcyclopentyl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone (CID 107176640) is (2-methylcyclopentyl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-methylcyclopentyl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone?
The canonical SMILES for (2-methylcyclopentyl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone is CC(C)Oc1ccc2[nH]cc(C(=O)C3CCCC3C)c2c1.
What is the InChIKey of (2-methylcyclopentyl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone?
The InChIKey is QWDWKCOLBMCLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-11(2)21-13-7-8-17-15(9-13)16(10-19-17)18(20)14-6-4-5-12(14)3/h7-12,14,19H,4-6H2,1-3H3.
What are the key properties of (2-methylcyclopentyl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone?
(2-methylcyclopentyl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone has a molecular weight of 285.39 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopentyl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 107176640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).