1-[1-(cyclopropylmethyl)indol-7-yl]ethanone

C14H15NO — CID 115106582

IUPAC1-[1-(cyclopropylmethyl)indol-7-yl]ethanone
SMILESCC(=O)c1cccc2ccn(CC3CC3)c12
InChIInChI=1S/C14H15NO/c1-10(16)13-4-2-3-12-7-8-15(14(12)13)9-11-5-6-11/h2-4,7-8,11H,5-6,9H2,1H3
InChIKeyPNCMVMWNXRYVRU-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.25
Rot. Bonds3

About 1-[1-(cyclopropylmethyl)indol-7-yl]ethanone

1-[1-(cyclopropylmethyl)indol-7-yl]ethanone (PubChem CID 115106582) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)indol-7-yl]ethanone.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)indol-7-yl]ethanone
PubChem CID115106582
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-[1-(cyclopropylmethyl)indol-7-yl]ethanone
SMILESCC(=O)c1cccc2ccn(CC3CC3)c12
InChIInChI=1S/C14H15NO/c1-10(16)13-4-2-3-12-7-8-15(14(12)13)9-11-5-6-11/h2-4,7-8,11H,5-6,9H2,1H3
InChIKeyPNCMVMWNXRYVRU-UHFFFAOYSA-N
XLogP3.25
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(cyclopentylmethyl)indol-7-yl]acetic acid
CID 115106599
1-[1-(cyclopropylmethyl)indol-7-yl]ethanamine
CID 115106526
2-[1-(cyclopentylmethyl)indol-7-yl]propanoic acid
CID 115106600
3-[1-(cyclobutylmethyl)indol-7-yl]propanoic acid
CID 115106612
1-(cyclopentylmethyl)indol-7-amine
CID 114935809
1-[1-(cyclopentylmethyl)indol-7-yl]propan-2-ol
CID 115106495
2-methyl-3-[1-(oxan-4-ylmethyl)indol-7-yl]propanoic acid
CID 115106617
1-[1-(cyclopentylmethyl)indol-6-yl]ethanone
CID 115106717
1-(cyclopropylmethyl)-6-(2-ethoxyethyl)pyrrolo[2,3-c]pyridin-7-one
CID 53164580
1-(2-cyclohexyloxyethyl)indole-7-carboxylic acid
CID 58306743
1-(2-ethylbutyl)indole-7-carboxylic acid
CID 82928947
1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide
CID 175076965

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)indol-7-yl]ethanone?
The IUPAC name of 1-[1-(cyclopropylmethyl)indol-7-yl]ethanone (CID 115106582) is 1-[1-(cyclopropylmethyl)indol-7-yl]ethanone.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)indol-7-yl]ethanone?
The canonical SMILES for 1-[1-(cyclopropylmethyl)indol-7-yl]ethanone is CC(=O)c1cccc2ccn(CC3CC3)c12.
What is the InChIKey of 1-[1-(cyclopropylmethyl)indol-7-yl]ethanone?
The InChIKey is PNCMVMWNXRYVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10(16)13-4-2-3-12-7-8-15(14(12)13)9-11-5-6-11/h2-4,7-8,11H,5-6,9H2,1H3.
What are the key properties of 1-[1-(cyclopropylmethyl)indol-7-yl]ethanone?
1-[1-(cyclopropylmethyl)indol-7-yl]ethanone has a molecular weight of 213.28 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)indol-7-yl]ethanone is sourced from PubChem (CID 115106582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).