3-[(E)-5-methylidenehept-2-en-3-yl]-N-prop-1-en-2-ylaniline

C17H23N — CID 137400657

IUPAC3-[(E)-5-methylidenehept-2-en-3-yl]-N-prop-1-en-2-ylaniline
SMILESC=C(CC)C/C(=C\C)c1cccc(NC(=C)C)c1
InChIInChI=1S/C17H23N/c1-6-14(5)11-15(7-2)16-9-8-10-17(12-16)18-13(3)4/h7-10,12,18H,3,5-6,11H2,1-2,4H3/b15-7+
InChIKeyCOXJKJGTLBUXET-VIZOYTHASA-N
MW241.38 g/mol
LogP5.39
Rot. Bonds6

About 3-[(E)-5-methylidenehept-2-en-3-yl]-N-prop-1-en-2-ylaniline

3-[(E)-5-methylidenehept-2-en-3-yl]-N-prop-1-en-2-ylaniline (PubChem CID 137400657) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[(E)-5-methylidenehept-2-en-3-yl]-N-prop-1-en-2-ylaniline.

Molecular Properties

Compound Name3-[(E)-5-methylidenehept-2-en-3-yl]-N-prop-1-en-2-ylaniline
PubChem CID137400657
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name3-[(E)-5-methylidenehept-2-en-3-yl]-N-prop-1-en-2-ylaniline
SMILESC=C(CC)C/C(=C\C)c1cccc(NC(=C)C)c1
InChIInChI=1S/C17H23N/c1-6-14(5)11-15(7-2)16-9-8-10-17(12-16)18-13(3)4/h7-10,12,18H,3,5-6,11H2,1-2,4H3/b15-7+
InChIKeyCOXJKJGTLBUXET-VIZOYTHASA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.38
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-N-prop-1-en-2-ylaniline
CID 143032511
3-(prop-1-en-2-ylamino)phenol
CID 143950523
N-(3-acetylphenyl)propanamide
CID 903063
3-(methylsulfonylmethyl)-N-prop-1-en-2-ylaniline
CID 163663288
1-[3-[[(3E)-4-phenylbuta-1,3-dien-2-yl]amino]phenyl]propan-1-one
CID 89219421
N-(2-acetamidoethyl)-3-(propanoylamino)benzamide
CID 47265307
4-(3-acetylanilino)-2-methylidene-4-oxobutanoic acid
CID 102132384
N,N-dimethylpropan-1-amine;(2Z,4Z,7Z)-5-(1-methoxyethenyl)-6-methylidenenona-2,4,7-triene;1-[3-(prop-1-en-2-ylamino)phenyl]ethanone
CID 143712265
3-acetamido-N-ethylbenzamide
CID 17230670
1-[3-(2-methylprop-2-enylamino)phenyl]ethanone
CID 82096283
2-methyl-N-[3-[3-[4-[3-[3-(2-methylprop-2-enoylamino)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]prop-2-enamide
CID 2832522
3-(propanoylamino)-N-prop-2-enylbenzamide
CID 47265411

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-5-methylidenehept-2-en-3-yl]-N-prop-1-en-2-ylaniline?
The IUPAC name of 3-[(E)-5-methylidenehept-2-en-3-yl]-N-prop-1-en-2-ylaniline (CID 137400657) is 3-[(E)-5-methylidenehept-2-en-3-yl]-N-prop-1-en-2-ylaniline.
What is the SMILES notation for 3-[(E)-5-methylidenehept-2-en-3-yl]-N-prop-1-en-2-ylaniline?
The canonical SMILES for 3-[(E)-5-methylidenehept-2-en-3-yl]-N-prop-1-en-2-ylaniline is C=C(CC)C/C(=C\C)c1cccc(NC(=C)C)c1.
What is the InChIKey of 3-[(E)-5-methylidenehept-2-en-3-yl]-N-prop-1-en-2-ylaniline?
The InChIKey is COXJKJGTLBUXET-VIZOYTHASA-N. The full InChI is InChI=1S/C17H23N/c1-6-14(5)11-15(7-2)16-9-8-10-17(12-16)18-13(3)4/h7-10,12,18H,3,5-6,11H2,1-2,4H3/b15-7+.
What are the key properties of 3-[(E)-5-methylidenehept-2-en-3-yl]-N-prop-1-en-2-ylaniline?
3-[(E)-5-methylidenehept-2-en-3-yl]-N-prop-1-en-2-ylaniline has a molecular weight of 241.38 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-5-methylidenehept-2-en-3-yl]-N-prop-1-en-2-ylaniline is sourced from PubChem (CID 137400657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).