(E)-N-[(E)-1-chloroprop-1-enyl]-1-phenylmethanimine

C10H10ClN — CID 134921420

IUPAC(E)-N-[(E)-1-chloroprop-1-enyl]-1-phenylmethanimine
SMILESC/C=C(Cl)\N=C\c1ccccc1
InChIInChI=1S/C10H10ClN/c1-2-10(11)12-8-9-6-4-3-5-7-9/h2-8H,1H3/b10-2-,12-8+
InChIKeyCQIKBQRRONFOMW-SDDKVCLYSA-N
MW179.65 g/mol
LogP3.21
Rot. Bonds2

About (E)-N-[(E)-1-chloroprop-1-enyl]-1-phenylmethanimine

(E)-N-[(E)-1-chloroprop-1-enyl]-1-phenylmethanimine (PubChem CID 134921420) has the molecular formula C10H10ClN and a molecular weight of 179.65 g/mol. Its IUPAC name is (E)-N-[(E)-1-chloroprop-1-enyl]-1-phenylmethanimine.

Molecular Properties

Compound Name(E)-N-[(E)-1-chloroprop-1-enyl]-1-phenylmethanimine
PubChem CID134921420
Molecular FormulaC10H10ClN
Molecular Weight179.65 g/mol
Exact Mass179.05
IUPAC Name(E)-N-[(E)-1-chloroprop-1-enyl]-1-phenylmethanimine
SMILESC/C=C(Cl)\N=C\c1ccccc1
InChIInChI=1S/C10H10ClN/c1-2-10(11)12-8-9-6-4-3-5-7-9/h2-8H,1H3/b10-2-,12-8+
InChIKeyCQIKBQRRONFOMW-SDDKVCLYSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-benzylidenehydroxylamine;ethane
CID 91038836
N-benzylidenehydroxylamine;ethane
CID 90698406
ethane;N-methyl-1-phenylmethanimine
CID 90887000
(E)-N-[(Z)-2-chloro-1-trimethylsilyloxyethenyl]-1-phenylmethanimine
CID 134893350
N-[(4-methylphenyl)methylidene]benzamide
CID 4606839
(Z)-3-(benzylideneamino)pent-3-ene-1,4-diol
CID 142216290
1-(benzylideneamino)ethanol
CID 66697160
2-amino-N-benzylidene-3-methylbutanamide
CID 131737592
N-oxido-1-phenylmethanimine
CID 3712496
N-[(2R,3R)-3-(benzylideneamino)butan-2-yl]-1-phenylmethanimine
CID 929328
acetyl chloride;benzaldehyde
CID 88812659
2-anilino-1-benzylideneguanidine
CID 172953173

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-1-chloroprop-1-enyl]-1-phenylmethanimine?
The IUPAC name of (E)-N-[(E)-1-chloroprop-1-enyl]-1-phenylmethanimine (CID 134921420) is (E)-N-[(E)-1-chloroprop-1-enyl]-1-phenylmethanimine.
What is the SMILES notation for (E)-N-[(E)-1-chloroprop-1-enyl]-1-phenylmethanimine?
The canonical SMILES for (E)-N-[(E)-1-chloroprop-1-enyl]-1-phenylmethanimine is C/C=C(Cl)\N=C\c1ccccc1.
What is the InChIKey of (E)-N-[(E)-1-chloroprop-1-enyl]-1-phenylmethanimine?
The InChIKey is CQIKBQRRONFOMW-SDDKVCLYSA-N. The full InChI is InChI=1S/C10H10ClN/c1-2-10(11)12-8-9-6-4-3-5-7-9/h2-8H,1H3/b10-2-,12-8+.
What are the key properties of (E)-N-[(E)-1-chloroprop-1-enyl]-1-phenylmethanimine?
(E)-N-[(E)-1-chloroprop-1-enyl]-1-phenylmethanimine has a molecular weight of 179.65 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-1-chloroprop-1-enyl]-1-phenylmethanimine is sourced from PubChem (CID 134921420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).