N-prop-1-enylbut-2-enimidoyl chloride

C7H10ClN — CID 123346450

IUPACN-prop-1-enylbut-2-enimidoyl chloride
SMILESCC=C/N=C(\Cl)C=CC
InChIInChI=1S/C7H10ClN/c1-3-5-7(8)9-6-4-2/h3-6H,1-2H3/b5-3?,6-4?,9-7-
InChIKeyKHMNKNXHGGIIGH-HBFCMIGWSA-N
MW143.62 g/mol
LogP2.73
Rot. Bonds2

About N-prop-1-enylbut-2-enimidoyl chloride

N-prop-1-enylbut-2-enimidoyl chloride (PubChem CID 123346450) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is N-prop-1-enylbut-2-enimidoyl chloride.

Molecular Properties

Compound NameN-prop-1-enylbut-2-enimidoyl chloride
PubChem CID123346450
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC NameN-prop-1-enylbut-2-enimidoyl chloride
SMILESCC=C/N=C(\Cl)C=CC
InChIInChI=1S/C7H10ClN/c1-3-5-7(8)9-6-4-2/h3-6H,1-2H3/b5-3?,6-4?,9-7-
InChIKeyKHMNKNXHGGIIGH-HBFCMIGWSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-ethenylbut-2-enimidoyl fluoride
CID 142896116
(E)-N-[(Z)-prop-1-enyl]but-2-en-1-imine
CID 88254229
(Z)-N-[(Z)-prop-1-enyl]but-2-en-1-imine
CID 88299847
N-[(1Z)-buta-1,3-dienyl]ethanimidoyl chloride
CID 89056970
2-chloro-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 89595732
(E)-3-chloro-N-ethenylbut-2-enimidoyl chloride
CID 89969445
N-methylbut-2-enimidoyl chloride
CID 91049177
N-prop-1-enylbut-2-en-1-imine
CID 91105383
(Z)-N-methylbut-2-enimidoyl chloride
CID 91410424
2-Chloro-1-azacyclohepta-1,3,4,6-tetraene
CID 91547907
N-[(Z)-prop-1-enyl]ethanimidoyl chloride
CID 117665170
N-(1-chloroprop-1-enyl)prop-2-en-1-imine
CID 123266589

Frequently Asked Questions

What is the IUPAC name of N-prop-1-enylbut-2-enimidoyl chloride?
The IUPAC name of N-prop-1-enylbut-2-enimidoyl chloride (CID 123346450) is N-prop-1-enylbut-2-enimidoyl chloride.
What is the SMILES notation for N-prop-1-enylbut-2-enimidoyl chloride?
The canonical SMILES for N-prop-1-enylbut-2-enimidoyl chloride is CC=C/N=C(\Cl)C=CC.
What is the InChIKey of N-prop-1-enylbut-2-enimidoyl chloride?
The InChIKey is KHMNKNXHGGIIGH-HBFCMIGWSA-N. The full InChI is InChI=1S/C7H10ClN/c1-3-5-7(8)9-6-4-2/h3-6H,1-2H3/b5-3?,6-4?,9-7-.
What are the key properties of N-prop-1-enylbut-2-enimidoyl chloride?
N-prop-1-enylbut-2-enimidoyl chloride has a molecular weight of 143.62 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-enylbut-2-enimidoyl chloride is sourced from PubChem (CID 123346450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).