(Z)-3-propyliminohept-4-en-2-one

C10H17NO — CID 143311355

IUPAC(Z)-3-propyliminohept-4-en-2-one
SMILESCC/C=C\C(=N\CCC)C(C)=O
InChIInChI=1S/C10H17NO/c1-4-6-7-10(9(3)12)11-8-5-2/h6-7H,4-5,8H2,1-3H3/b7-6-,11-10-
InChIKeyRVXAVXAHDKEZTI-QOXWLJPHSA-N
MW167.25 g/mol
LogP2.39
Rot. Bonds5

About (Z)-3-propyliminohept-4-en-2-one

(Z)-3-propyliminohept-4-en-2-one (PubChem CID 143311355) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (Z)-3-propyliminohept-4-en-2-one.

Molecular Properties

Compound Name(Z)-3-propyliminohept-4-en-2-one
PubChem CID143311355
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(Z)-3-propyliminohept-4-en-2-one
SMILESCC/C=C\C(=N\CCC)C(C)=O
InChIInChI=1S/C10H17NO/c1-4-6-7-10(9(3)12)11-8-5-2/h6-7H,4-5,8H2,1-3H3/b7-6-,11-10-
InChIKeyRVXAVXAHDKEZTI-QOXWLJPHSA-N
XLogP2.39
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
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

1-(3-Fluoro-2,3-dihydropyridin-6-yl)ethanone
CID 70264178
3-Ethylimino-4-fluorohex-4-en-2-one
CID 123908334
1-(2H-pyrrol-5-yl)ethanone
CID 58270108
1-(3-methyl-2H-pyrrol-5-yl)ethanone
CID 58966269
1-(2,3-Dihydropyridin-6-yl)-2-methylpropan-1-one
CID 68049953
3-[2-(Dimethylamino)ethylimino]hex-4-en-2-one
CID 87305181
(E)-4-[(Z)-but-1-enyl]iminohept-5-en-3-one
CID 89298368
1-(Azocin-2-yl)ethanone
CID 91417784
ethane;6-methyl-2H-pyridin-5-one
CID 91443223
N-[(E)-hept-2-en-4-ylidene]propanamide
CID 117742259
1-(2,3-Dihydropyridin-6-yl)ethanone
CID 121321845
5-Ethylimino-7-methyl-3-methyliminooct-6-en-4-one
CID 123159502

Frequently Asked Questions

What is the IUPAC name of (Z)-3-propyliminohept-4-en-2-one?
The IUPAC name of (Z)-3-propyliminohept-4-en-2-one (CID 143311355) is (Z)-3-propyliminohept-4-en-2-one.
What is the SMILES notation for (Z)-3-propyliminohept-4-en-2-one?
The canonical SMILES for (Z)-3-propyliminohept-4-en-2-one is CC/C=C\C(=N\CCC)C(C)=O.
What is the InChIKey of (Z)-3-propyliminohept-4-en-2-one?
The InChIKey is RVXAVXAHDKEZTI-QOXWLJPHSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-6-7-10(9(3)12)11-8-5-2/h6-7H,4-5,8H2,1-3H3/b7-6-,11-10-.
What are the key properties of (Z)-3-propyliminohept-4-en-2-one?
(Z)-3-propyliminohept-4-en-2-one has a molecular weight of 167.25 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-propyliminohept-4-en-2-one is sourced from PubChem (CID 143311355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).