4-(1H-indol-2-yl)cyclohept-4-en-1-one

C15H15NO — CID 58890065

IUPAC4-(1H-indol-2-yl)cyclohept-4-en-1-one
SMILESO=C1CCC=C(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H15NO/c17-13-6-3-5-11(8-9-13)15-10-12-4-1-2-7-14(12)16-15/h1-2,4-5,7,10,16H,3,6,8-9H2
InChIKeyMPKQLVWPBVIKRD-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.69
Rot. Bonds1

About 4-(1H-indol-2-yl)cyclohept-4-en-1-one

4-(1H-indol-2-yl)cyclohept-4-en-1-one (PubChem CID 58890065) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(1H-indol-2-yl)cyclohept-4-en-1-one.

Molecular Properties

Compound Name4-(1H-indol-2-yl)cyclohept-4-en-1-one
PubChem CID58890065
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name4-(1H-indol-2-yl)cyclohept-4-en-1-one
SMILESO=C1CCC=C(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H15NO/c17-13-6-3-5-11(8-9-13)15-10-12-4-1-2-7-14(12)16-15/h1-2,4-5,7,10,16H,3,6,8-9H2
InChIKeyMPKQLVWPBVIKRD-UHFFFAOYSA-N
XLogP3.69
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[1-(2,3-dihydro-1H-inden-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
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2-[5-(azetidin-1-ylsulfinyl)-2-(cyclopenten-1-yl)phenyl]-1H-indole
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2-(cyclohexen-1-yl)-1H-indole-5-carboxamide
CID 11230198
2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole
CID 141030381
2-(1H-diazirin-3-yl)-1H-indole
CID 137250152
5-(1H-indol-2-yl)pyrazol-3-one
CID 67742165
2-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1H-indole
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2-(2,6-diphenylphenyl)-1H-indole
CID 135023242
2-[(1Z,3Z,5Z,7Z)-2-(1H-indol-2-yl)cycloocta-1,3,5,7-tetraen-1-yl]-1H-indole
CID 142743500

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-2-yl)cyclohept-4-en-1-one?
The IUPAC name of 4-(1H-indol-2-yl)cyclohept-4-en-1-one (CID 58890065) is 4-(1H-indol-2-yl)cyclohept-4-en-1-one.
What is the SMILES notation for 4-(1H-indol-2-yl)cyclohept-4-en-1-one?
The canonical SMILES for 4-(1H-indol-2-yl)cyclohept-4-en-1-one is O=C1CCC=C(c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 4-(1H-indol-2-yl)cyclohept-4-en-1-one?
The InChIKey is MPKQLVWPBVIKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c17-13-6-3-5-11(8-9-13)15-10-12-4-1-2-7-14(12)16-15/h1-2,4-5,7,10,16H,3,6,8-9H2.
What are the key properties of 4-(1H-indol-2-yl)cyclohept-4-en-1-one?
4-(1H-indol-2-yl)cyclohept-4-en-1-one has a molecular weight of 225.29 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-2-yl)cyclohept-4-en-1-one is sourced from PubChem (CID 58890065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).