(3Z)-3-indol-7-ylideneprop-1-en-1-one

C11H7NO — CID 134831511

IUPAC(3Z)-3-indol-7-ylideneprop-1-en-1-one
SMILESO=C=C/C=c1/cccc2c1=NC=C2
InChIInChI=1S/C11H7NO/c13-8-2-5-9-3-1-4-10-6-7-12-11(9)10/h1-7H/b9-5-
InChIKeyRYCWEBWSPJBADU-UITAMQMPSA-N
MW169.18 g/mol
LogP0.46
Rot. Bonds1

About (3Z)-3-indol-7-ylideneprop-1-en-1-one

(3Z)-3-indol-7-ylideneprop-1-en-1-one (PubChem CID 134831511) has the molecular formula C11H7NO and a molecular weight of 169.18 g/mol. Its IUPAC name is (3Z)-3-indol-7-ylideneprop-1-en-1-one.

Molecular Properties

Compound Name(3Z)-3-indol-7-ylideneprop-1-en-1-one
PubChem CID134831511
Molecular FormulaC11H7NO
Molecular Weight169.18 g/mol
Exact Mass169.05
IUPAC Name(3Z)-3-indol-7-ylideneprop-1-en-1-one
SMILESO=C=C/C=c1/cccc2c1=NC=C2
InChIInChI=1S/C11H7NO/c13-8-2-5-9-3-1-4-10-6-7-12-11(9)10/h1-7H/b9-5-
InChIKeyRYCWEBWSPJBADU-UITAMQMPSA-N
XLogP0.46
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

Indol-7-one
CID 18376413
5H-Indole
CID 20712154
Benz[e]indol-4-one
CID 129675893
Indol-5-one
CID 21494587
Imidazobenzazocinone
CID 135393594
3-Methylindol-5-one
CID 19860584
7H-indole
CID 22406159
5,6-dihydro-4H-cyclopenta[b]pyridin-4-id-7-one;tungsten
CID 58533636
Benzo[g]indol-8-one
CID 141188521
6-deuterio-7H-indole
CID 175766156
4H-Cyclopenta[B]pyridine
CID 56972377
(3E)-4-(3H-pyrrol-2-yl)buta-1,3-dien-1-one
CID 102087813

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-indol-7-ylideneprop-1-en-1-one?
The IUPAC name of (3Z)-3-indol-7-ylideneprop-1-en-1-one (CID 134831511) is (3Z)-3-indol-7-ylideneprop-1-en-1-one.
What is the SMILES notation for (3Z)-3-indol-7-ylideneprop-1-en-1-one?
The canonical SMILES for (3Z)-3-indol-7-ylideneprop-1-en-1-one is O=C=C/C=c1/cccc2c1=NC=C2.
What is the InChIKey of (3Z)-3-indol-7-ylideneprop-1-en-1-one?
The InChIKey is RYCWEBWSPJBADU-UITAMQMPSA-N. The full InChI is InChI=1S/C11H7NO/c13-8-2-5-9-3-1-4-10-6-7-12-11(9)10/h1-7H/b9-5-.
What are the key properties of (3Z)-3-indol-7-ylideneprop-1-en-1-one?
(3Z)-3-indol-7-ylideneprop-1-en-1-one has a molecular weight of 169.18 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-indol-7-ylideneprop-1-en-1-one is sourced from PubChem (CID 134831511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).