(Z)-6-(3-formylphenyl)-N,N-dimethylhex-5-enamide

C15H19NO2 — CID 138465597

IUPAC(Z)-6-(3-formylphenyl)-N,N-dimethylhex-5-enamide
SMILESCN(C)C(=O)CCC/C=C\c1cccc(C=O)c1
InChIInChI=1S/C15H19NO2/c1-16(2)15(18)10-5-3-4-7-13-8-6-9-14(11-13)12-17/h4,6-9,11-12H,3,5,10H2,1-2H3/b7-4-
InChIKeyFHJPMHJBUDQBIB-DAXSKMNVSA-N
MW245.32 g/mol
LogP2.77
Rot. Bonds6

About (Z)-6-(3-formylphenyl)-N,N-dimethylhex-5-enamide

(Z)-6-(3-formylphenyl)-N,N-dimethylhex-5-enamide (PubChem CID 138465597) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (Z)-6-(3-formylphenyl)-N,N-dimethylhex-5-enamide.

Molecular Properties

Compound Name(Z)-6-(3-formylphenyl)-N,N-dimethylhex-5-enamide
PubChem CID138465597
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(Z)-6-(3-formylphenyl)-N,N-dimethylhex-5-enamide
SMILESCN(C)C(=O)CCC/C=C\c1cccc(C=O)c1
InChIInChI=1S/C15H19NO2/c1-16(2)15(18)10-5-3-4-7-13-8-6-9-14(11-13)12-17/h4,6-9,11-12H,3,5,10H2,1-2H3/b7-4-
InChIKeyFHJPMHJBUDQBIB-DAXSKMNVSA-N
XLogP2.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-6-(3-acetylphenyl)-N,N-dimethylhex-5-enamide
CID 138465388
3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(2-oxoethyl)benzamide
CID 145136932
2-[[3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]benzoyl]amino]acetic acid
CID 118144306
(2R)-5-[3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]phenyl]-2-methyl-5-oxopentanoic acid
CID 138465428
3-[(E)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 67524169
4-(3-formylphenyl)sulfanyl-N,N-dimethylbutanamide
CID 66355142
S-[4-(3-formylphenyl)but-3-enyl] ethanethioate
CID 170479709
3-[6-(dimethylamino)-6-oxohex-1-enyl]-N-(1-propan-2-yloxypropan-2-yl)benzamide
CID 91074518
(3R)-4-[[3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]benzoyl]amino]-2,3-dimethylpentanoic acid
CID 163699083
2-[3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]benzoyl]imino-3-phenylpropanoic acid
CID 134469981
methyl 2-[[3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]benzoyl]amino]-3-phenylpropanoate
CID 138465550
7-phenylhept-6-en-2-one
CID 582607

Frequently Asked Questions

What is the IUPAC name of (Z)-6-(3-formylphenyl)-N,N-dimethylhex-5-enamide?
The IUPAC name of (Z)-6-(3-formylphenyl)-N,N-dimethylhex-5-enamide (CID 138465597) is (Z)-6-(3-formylphenyl)-N,N-dimethylhex-5-enamide.
What is the SMILES notation for (Z)-6-(3-formylphenyl)-N,N-dimethylhex-5-enamide?
The canonical SMILES for (Z)-6-(3-formylphenyl)-N,N-dimethylhex-5-enamide is CN(C)C(=O)CCC/C=C\c1cccc(C=O)c1.
What is the InChIKey of (Z)-6-(3-formylphenyl)-N,N-dimethylhex-5-enamide?
The InChIKey is FHJPMHJBUDQBIB-DAXSKMNVSA-N. The full InChI is InChI=1S/C15H19NO2/c1-16(2)15(18)10-5-3-4-7-13-8-6-9-14(11-13)12-17/h4,6-9,11-12H,3,5,10H2,1-2H3/b7-4-.
What are the key properties of (Z)-6-(3-formylphenyl)-N,N-dimethylhex-5-enamide?
(Z)-6-(3-formylphenyl)-N,N-dimethylhex-5-enamide has a molecular weight of 245.32 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(3-formylphenyl)-N,N-dimethylhex-5-enamide is sourced from PubChem (CID 138465597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).