4-imino-2-[(2E)-2-prop-2-enylhexa-2,4-dienyl]cyclopent-2-en-1-one

C14H17NO — CID 123775770

IUPAC4-imino-2-[(2E)-2-prop-2-enylhexa-2,4-dienyl]cyclopent-2-en-1-one
SMILES[H]/N=C1/C=C(C/C(=C/C=CC)CC=C)C(=O)C1
InChIInChI=1S/C14H17NO/c1-3-5-7-11(6-4-2)8-12-9-13(15)10-14(12)16/h3-5,7,9,15H,2,6,8,10H2,1H3/b5-3?,11-7+,15-13-
InChIKeyALRKEWPYDGDTJY-PDXMNMAWSA-N
MW215.30 g/mol
LogP3.37
Rot. Bonds5

About 4-imino-2-[(2E)-2-prop-2-enylhexa-2,4-dienyl]cyclopent-2-en-1-one

4-imino-2-[(2E)-2-prop-2-enylhexa-2,4-dienyl]cyclopent-2-en-1-one (PubChem CID 123775770) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-imino-2-[(2E)-2-prop-2-enylhexa-2,4-dienyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-imino-2-[(2E)-2-prop-2-enylhexa-2,4-dienyl]cyclopent-2-en-1-one
PubChem CID123775770
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-imino-2-[(2E)-2-prop-2-enylhexa-2,4-dienyl]cyclopent-2-en-1-one
SMILES[H]/N=C1/C=C(C/C(=C/C=CC)CC=C)C(=O)C1
InChIInChI=1S/C14H17NO/c1-3-5-7-11(6-4-2)8-12-9-13(15)10-14(12)16/h3-5,7,9,15H,2,6,8,10H2,1H3/b5-3?,11-7+,15-13-
InChIKeyALRKEWPYDGDTJY-PDXMNMAWSA-N
XLogP3.37
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Bis-imino-acenaphthenequinone
CID 166611148
2-(6-Iminocyclohexa-2,4-dien-1-ylidene)cyclohexan-1-one
CID 90755764
1-(6-Iminocyclohexa-1,3-dien-1-yl)ethanone
CID 134843797
3-Ethanimidoyl-4-ethenylcyclohex-3-en-1-one
CID 88940884
1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone
CID 91105970
3-But-2-enylidene-5-iminohexane-2,4-dione
CID 123328689
(7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one
CID 123368774
2-Imino-1-(6-propan-2-ylcyclohepta-1,4,6-trien-1-yl)pentan-1-one
CID 123834234
5-(6-Imino-2-methylhept-2-enyl)cyclohept-5-ene-1,4-dione
CID 123910002
5-Ethyl-6-ethylidene-2-(2-iminopropanoyl)cyclonona-2,4,8-trien-1-one
CID 123947533
4-(2,6-Diiminoheptan-4-ylidene)cyclohex-2-en-1-one
CID 123982835
(5Z,6E)-5-ethylidene-2-imino-6-prop-2-enylidenecyclohex-3-en-1-one
CID 138657118

Frequently Asked Questions

What is the IUPAC name of 4-imino-2-[(2E)-2-prop-2-enylhexa-2,4-dienyl]cyclopent-2-en-1-one?
The IUPAC name of 4-imino-2-[(2E)-2-prop-2-enylhexa-2,4-dienyl]cyclopent-2-en-1-one (CID 123775770) is 4-imino-2-[(2E)-2-prop-2-enylhexa-2,4-dienyl]cyclopent-2-en-1-one.
What is the SMILES notation for 4-imino-2-[(2E)-2-prop-2-enylhexa-2,4-dienyl]cyclopent-2-en-1-one?
The canonical SMILES for 4-imino-2-[(2E)-2-prop-2-enylhexa-2,4-dienyl]cyclopent-2-en-1-one is [H]/N=C1/C=C(C/C(=C/C=CC)CC=C)C(=O)C1.
What is the InChIKey of 4-imino-2-[(2E)-2-prop-2-enylhexa-2,4-dienyl]cyclopent-2-en-1-one?
The InChIKey is ALRKEWPYDGDTJY-PDXMNMAWSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-5-7-11(6-4-2)8-12-9-13(15)10-14(12)16/h3-5,7,9,15H,2,6,8,10H2,1H3/b5-3?,11-7+,15-13-.
What are the key properties of 4-imino-2-[(2E)-2-prop-2-enylhexa-2,4-dienyl]cyclopent-2-en-1-one?
4-imino-2-[(2E)-2-prop-2-enylhexa-2,4-dienyl]cyclopent-2-en-1-one has a molecular weight of 215.30 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-2-[(2E)-2-prop-2-enylhexa-2,4-dienyl]cyclopent-2-en-1-one is sourced from PubChem (CID 123775770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).