N-(4-chloropent-2-en-2-yl)methanimine

C6H10ClN — CID 123287572

IUPACN-(4-chloropent-2-en-2-yl)methanimine
SMILESC=NC(C)=CC(C)Cl
InChIInChI=1S/C6H10ClN/c1-5(7)4-6(2)8-3/h4-5H,3H2,1-2H3
InChIKeyBRGXCKFXHAKZCG-UHFFFAOYSA-N
MW131.61 g/mol
LogP2.22
Rot. Bonds2

About N-(4-chloropent-2-en-2-yl)methanimine

N-(4-chloropent-2-en-2-yl)methanimine (PubChem CID 123287572) has the molecular formula C6H10ClN and a molecular weight of 131.61 g/mol. Its IUPAC name is N-(4-chloropent-2-en-2-yl)methanimine.

Molecular Properties

Compound NameN-(4-chloropent-2-en-2-yl)methanimine
PubChem CID123287572
Molecular FormulaC6H10ClN
Molecular Weight131.61 g/mol
Exact Mass131.05
IUPAC NameN-(4-chloropent-2-en-2-yl)methanimine
SMILESC=NC(C)=CC(C)Cl
InChIInChI=1S/C6H10ClN/c1-5(7)4-6(2)8-3/h4-5H,3H2,1-2H3
InChIKeyBRGXCKFXHAKZCG-UHFFFAOYSA-N
XLogP2.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.61
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-chloro-2-isothiocyanatopent-2-ene
CID 134988104
N-pent-2-en-2-ylmethanimine
CID 57118992
N-pent-2-en-3-ylmethanimine
CID 91032118
N-methyl-3-(methylideneamino)pent-2-enimidoyl chloride
CID 91495436
N-(1-chlorobut-2-en-2-yl)methanimine
CID 123620422
N-[(Z)-hex-3-en-3-yl]methanimine
CID 124182098
N-[(E)-hex-3-en-3-yl]methanimine
CID 130348791
N-[(Z)-pent-2-en-3-yl]methanimine
CID 142562625
N-[(Z)-pent-2-en-2-yl]methanimine
CID 144826809
N-[(E)-pent-2-en-3-yl]methanimine
CID 154483010
N-[(E)-pent-2-en-2-yl]methanimine
CID 154559491
N-[(2Z,4E)-4-(chloromethyl)hexa-2,4-dien-2-yl]methanimine
CID 166648338

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropent-2-en-2-yl)methanimine?
The IUPAC name of N-(4-chloropent-2-en-2-yl)methanimine (CID 123287572) is N-(4-chloropent-2-en-2-yl)methanimine.
What is the SMILES notation for N-(4-chloropent-2-en-2-yl)methanimine?
The canonical SMILES for N-(4-chloropent-2-en-2-yl)methanimine is C=NC(C)=CC(C)Cl.
What is the InChIKey of N-(4-chloropent-2-en-2-yl)methanimine?
The InChIKey is BRGXCKFXHAKZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN/c1-5(7)4-6(2)8-3/h4-5H,3H2,1-2H3.
What are the key properties of N-(4-chloropent-2-en-2-yl)methanimine?
N-(4-chloropent-2-en-2-yl)methanimine has a molecular weight of 131.61 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropent-2-en-2-yl)methanimine is sourced from PubChem (CID 123287572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).