7-(N-methylanilino)hept-1-en-4-one

C14H19NO — CID 70573973

IUPAC7-(N-methylanilino)hept-1-en-4-one
SMILESC=CCC(=O)CCCN(C)c1ccccc1
InChIInChI=1S/C14H19NO/c1-3-8-14(16)11-7-12-15(2)13-9-5-4-6-10-13/h3-6,9-10H,1,7-8,11-12H2,2H3
InChIKeyQESKTEWZJGWWTI-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.05
Rot. Bonds7

About 7-(N-methylanilino)hept-1-en-4-one

7-(N-methylanilino)hept-1-en-4-one (PubChem CID 70573973) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 7-(N-methylanilino)hept-1-en-4-one.

Molecular Properties

Compound Name7-(N-methylanilino)hept-1-en-4-one
PubChem CID70573973
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name7-(N-methylanilino)hept-1-en-4-one
SMILESC=CCC(=O)CCCN(C)c1ccccc1
InChIInChI=1S/C14H19NO/c1-3-8-14(16)11-7-12-15(2)13-9-5-4-6-10-13/h3-6,9-10H,1,7-8,11-12H2,2H3
InChIKeyQESKTEWZJGWWTI-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one
CID 43229292
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
3-(N-methylanilino)-1-phenylpropan-1-one
CID 15652804
5-[3-(N-methylanilino)propylamino]pentanoic acid
CID 103232553
ethene;N'-methyl-N'-phenylpropane-1,3-diamine
CID 143617453
4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride
CID 119831619
4-(N-methylanilino)-3-oxobutanal
CID 134923271
2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid
CID 43135762
N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine
CID 107006435
2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 154634175
4-(4-chloro-N-methylanilino)butanoic acid
CID 19918557

Frequently Asked Questions

What is the IUPAC name of 7-(N-methylanilino)hept-1-en-4-one?
The IUPAC name of 7-(N-methylanilino)hept-1-en-4-one (CID 70573973) is 7-(N-methylanilino)hept-1-en-4-one.
What is the SMILES notation for 7-(N-methylanilino)hept-1-en-4-one?
The canonical SMILES for 7-(N-methylanilino)hept-1-en-4-one is C=CCC(=O)CCCN(C)c1ccccc1.
What is the InChIKey of 7-(N-methylanilino)hept-1-en-4-one?
The InChIKey is QESKTEWZJGWWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-8-14(16)11-7-12-15(2)13-9-5-4-6-10-13/h3-6,9-10H,1,7-8,11-12H2,2H3.
What are the key properties of 7-(N-methylanilino)hept-1-en-4-one?
7-(N-methylanilino)hept-1-en-4-one has a molecular weight of 217.31 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(N-methylanilino)hept-1-en-4-one is sourced from PubChem (CID 70573973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).