N-(1-phenylbut-3-en-2-yl)methanimine

C11H13N — CID 163597211

IUPACN-(1-phenylbut-3-en-2-yl)methanimine
SMILESC=CC(Cc1ccccc1)N=C
InChIInChI=1S/C11H13N/c1-3-11(12-2)9-10-7-5-4-6-8-10/h3-8,11H,1-2,9H2
InChIKeyGUMDZGXSVHJGHW-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.48
Rot. Bonds4

About N-(1-phenylbut-3-en-2-yl)methanimine

N-(1-phenylbut-3-en-2-yl)methanimine (PubChem CID 163597211) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(1-phenylbut-3-en-2-yl)methanimine.

Molecular Properties

Compound NameN-(1-phenylbut-3-en-2-yl)methanimine
PubChem CID163597211
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC NameN-(1-phenylbut-3-en-2-yl)methanimine
SMILESC=CC(Cc1ccccc1)N=C
InChIInChI=1S/C11H13N/c1-3-11(12-2)9-10-7-5-4-6-8-10/h3-8,11H,1-2,9H2
InChIKeyGUMDZGXSVHJGHW-UHFFFAOYSA-N
XLogP2.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-benzylbut-3-en-1-ol
CID 11084196
trichloro(1-phenylbut-3-en-2-yl)silane
CID 21185625
triphenyl(1-phenylbut-3-en-2-yl)stannane
CID 67742477
(2S,3S)-3-methyl-1-phenylpent-4-en-2-ol
CID 101389726
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
2-benzylbut-3-enoic acid;hydrochloride
CID 67865734
(2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol
CID 121344680
penta-1,4-dien-3-yloxymethylbenzene
CID 102250646
dichloro-methyl-(1-phenylbut-3-en-2-yl)silane
CID 139671887
(3R)-3-benzylpent-4-enoic acid
CID 124641906
4-methyl-5-phenylpent-1-en-3-one
CID 21353103
N-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine
CID 156852680

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbut-3-en-2-yl)methanimine?
The IUPAC name of N-(1-phenylbut-3-en-2-yl)methanimine (CID 163597211) is N-(1-phenylbut-3-en-2-yl)methanimine.
What is the SMILES notation for N-(1-phenylbut-3-en-2-yl)methanimine?
The canonical SMILES for N-(1-phenylbut-3-en-2-yl)methanimine is C=CC(Cc1ccccc1)N=C.
What is the InChIKey of N-(1-phenylbut-3-en-2-yl)methanimine?
The InChIKey is GUMDZGXSVHJGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-3-11(12-2)9-10-7-5-4-6-8-10/h3-8,11H,1-2,9H2.
What are the key properties of N-(1-phenylbut-3-en-2-yl)methanimine?
N-(1-phenylbut-3-en-2-yl)methanimine has a molecular weight of 159.23 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbut-3-en-2-yl)methanimine is sourced from PubChem (CID 163597211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).