N-[(Z)-but-2-en-2-yl]-2-chloropropan-1-imine

C7H12ClN — CID 143099765

IUPACN-[(Z)-but-2-en-2-yl]-2-chloropropan-1-imine
SMILESC/C=C(C)\N=C\C(C)Cl
InChIInChI=1S/C7H12ClN/c1-4-7(3)9-5-6(2)8/h4-6H,1-3H3/b7-4-,9-5+
InChIKeyLXTYKJRROIXRDC-ICDOWURLSA-N
MW145.63 g/mol
LogP2.61
Rot. Bonds2

About N-[(Z)-but-2-en-2-yl]-2-chloropropan-1-imine

N-[(Z)-but-2-en-2-yl]-2-chloropropan-1-imine (PubChem CID 143099765) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-2-chloropropan-1-imine.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-2-chloropropan-1-imine
PubChem CID143099765
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC NameN-[(Z)-but-2-en-2-yl]-2-chloropropan-1-imine
SMILESC/C=C(C)\N=C\C(C)Cl
InChIInChI=1S/C7H12ClN/c1-4-7(3)9-5-6(2)8/h4-6H,1-3H3/b7-4-,9-5+
InChIKeyLXTYKJRROIXRDC-ICDOWURLSA-N
XLogP2.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 52.61
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

N-but-2-en-2-ylpropan-1-imine
CID 21054927
N-[(Z)-but-2-en-2-yl]propan-1-imine
CID 89899367
N-[(E)-but-2-en-2-yl]propan-1-imine
CID 91326957
(Z)-N-(3-chloroprop-1-en-2-yl)but-2-en-1-imine
CID 117854311
N-(1-chlorobut-2-en-2-yl)methanimine
CID 123620422
N-(3-chloroprop-1-en-2-yl)prop-2-en-1-imine
CID 123645775
N-(1-chlorobut-2-en-2-yl)prop-2-en-1-imine
CID 123672421
(E)-2-(chloromethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 132001862
N-[(Z)-but-2-en-2-yl]-2-chloroprop-2-en-1-imine
CID 143182223
2-chloro-N-[(2Z)-penta-2,4-dien-2-yl]propan-1-imine
CID 143519484
(E)-2-chloro-N-prop-1-en-2-ylbut-2-en-1-imine
CID 144283085
2-chloro-N-[(2Z,4Z)-hexa-2,4-dien-2-yl]ethanimine
CID 145511389

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]-2-chloropropan-1-imine?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-2-chloropropan-1-imine (CID 143099765) is N-[(Z)-but-2-en-2-yl]-2-chloropropan-1-imine.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-2-chloropropan-1-imine?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-2-chloropropan-1-imine is C/C=C(C)\N=C\C(C)Cl.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-2-chloropropan-1-imine?
The InChIKey is LXTYKJRROIXRDC-ICDOWURLSA-N. The full InChI is InChI=1S/C7H12ClN/c1-4-7(3)9-5-6(2)8/h4-6H,1-3H3/b7-4-,9-5+.
What are the key properties of N-[(Z)-but-2-en-2-yl]-2-chloropropan-1-imine?
N-[(Z)-but-2-en-2-yl]-2-chloropropan-1-imine has a molecular weight of 145.63 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]-2-chloropropan-1-imine is sourced from PubChem (CID 143099765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).