2-imino-4,5-dihydro-3H-inden-1-one

C9H9NO — CID 141322519

IUPAC2-imino-4,5-dihydro-3H-inden-1-one
SMILES[H]/N=C1\CC2=C(C=CCC2)C1=O
InChIInChI=1S/C9H9NO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h2,4,10H,1,3,5H2/b10-8+
InChIKeyBKZJDSVEADCORJ-CSKARUKUSA-N
MW147.18 g/mol
LogP1.63
Rot. Bonds

About 2-imino-4,5-dihydro-3H-inden-1-one

2-imino-4,5-dihydro-3H-inden-1-one (PubChem CID 141322519) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-imino-4,5-dihydro-3H-inden-1-one.

Molecular Properties

Compound Name2-imino-4,5-dihydro-3H-inden-1-one
PubChem CID141322519
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-imino-4,5-dihydro-3H-inden-1-one
SMILES[H]/N=C1\CC2=C(C=CCC2)C1=O
InChIInChI=1S/C9H9NO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h2,4,10H,1,3,5H2/b10-8+
InChIKeyBKZJDSVEADCORJ-CSKARUKUSA-N
XLogP1.63
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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1-(6-Iminocyclohexa-1,3-dien-1-yl)ethanone
CID 134843797
4-imino-2-[(2E)-2-prop-2-enylhexa-2,4-dienyl]cyclopent-2-en-1-one
CID 123775770
(Z,5E)-5-ethylidene-1-imino-1-(2,3,4,9-tetrahydro-1H-benzo[7]annulen-7-yl)non-6-en-4-one
CID 139563439
1-[(6Z)-6-ethylidene-5-iminocyclohexa-1,3-dien-1-yl]ethanone
CID 170120300
1-[(6Z)-6-ethylidene-5-iminocyclohexa-1,3-dien-1-yl]propan-1-one
CID 170121233
3-Butanimidoylcyclohex-2-en-1-one
CID 174625898
3-Imino-2-(prop-2-en-1-ylidene)cyclohexan-1-one
CID 71427208
(2Z)-3-imino-2-prop-2-enylidenecyclohexan-1-one
CID 102348765
(2E)-3-imino-2-prop-2-enylidenecyclohexan-1-one
CID 131863423

Frequently Asked Questions

What is the IUPAC name of 2-imino-4,5-dihydro-3H-inden-1-one?
The IUPAC name of 2-imino-4,5-dihydro-3H-inden-1-one (CID 141322519) is 2-imino-4,5-dihydro-3H-inden-1-one.
What is the SMILES notation for 2-imino-4,5-dihydro-3H-inden-1-one?
The canonical SMILES for 2-imino-4,5-dihydro-3H-inden-1-one is [H]/N=C1\CC2=C(C=CCC2)C1=O.
What is the InChIKey of 2-imino-4,5-dihydro-3H-inden-1-one?
The InChIKey is BKZJDSVEADCORJ-CSKARUKUSA-N. The full InChI is InChI=1S/C9H9NO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h2,4,10H,1,3,5H2/b10-8+.
What are the key properties of 2-imino-4,5-dihydro-3H-inden-1-one?
2-imino-4,5-dihydro-3H-inden-1-one has a molecular weight of 147.18 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-4,5-dihydro-3H-inden-1-one is sourced from PubChem (CID 141322519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).