(Z)-N,2-dimethylpent-2-enimidoyl chloride

C7H12ClN — CID 142087024

IUPAC(Z)-N,2-dimethylpent-2-enimidoyl chloride
SMILESCC/C=C(C)\C(Cl)=N\C
InChIInChI=1S/C7H12ClN/c1-4-5-6(2)7(8)9-3/h5H,4H2,1-3H3/b6-5-,9-7-
InChIKeyBMGCOSBGDJJNIU-LZWBOMALSA-N
MW145.63 g/mol
LogP2.61
Rot. Bonds2

About (Z)-N,2-dimethylpent-2-enimidoyl chloride

(Z)-N,2-dimethylpent-2-enimidoyl chloride (PubChem CID 142087024) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is (Z)-N,2-dimethylpent-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-N,2-dimethylpent-2-enimidoyl chloride
PubChem CID142087024
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Name(Z)-N,2-dimethylpent-2-enimidoyl chloride
SMILESCC/C=C(C)\C(Cl)=N\C
InChIInChI=1S/C7H12ClN/c1-4-5-6(2)7(8)9-3/h5H,4H2,1-3H3/b6-5-,9-7-
InChIKeyBMGCOSBGDJJNIU-LZWBOMALSA-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': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-chloro-N-methyl-2-methylidenepent-3-en-1-imine
CID 88971032
2-methyl-N-pent-3-enylprop-2-enimidoyl chloride
CID 123530294
N,2-dimethylhexa-2,5-dienimidoyl chloride
CID 123718919
2-Chloro-5-methyl-2,3-dihydropyridine
CID 124007981
(Z)-N,3-dimethylpent-2-enimidoyl chloride
CID 132023743
(Z)-N-ethyl-2-methylbut-2-enimidoyl chloride
CID 138459578
(Z)-N,2-dimethylbut-2-enimidoyl chloride
CID 138525879
5-chloro-4-propan-2-yl-2H-pyrrole
CID 147400174
(E)-3-chloro-N-methylpent-2-enimidoyl chloride
CID 167266759
N-methyl-2-methylidenebutanimidoyl chloride
CID 169586264
3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride
CID 143401353
(2Z)-N,2,4-trimethylpenta-2,4-dienimidoyl chloride
CID 172320537

Frequently Asked Questions

What is the IUPAC name of (Z)-N,2-dimethylpent-2-enimidoyl chloride?
The IUPAC name of (Z)-N,2-dimethylpent-2-enimidoyl chloride (CID 142087024) is (Z)-N,2-dimethylpent-2-enimidoyl chloride.
What is the SMILES notation for (Z)-N,2-dimethylpent-2-enimidoyl chloride?
The canonical SMILES for (Z)-N,2-dimethylpent-2-enimidoyl chloride is CC/C=C(C)\C(Cl)=N\C.
What is the InChIKey of (Z)-N,2-dimethylpent-2-enimidoyl chloride?
The InChIKey is BMGCOSBGDJJNIU-LZWBOMALSA-N. The full InChI is InChI=1S/C7H12ClN/c1-4-5-6(2)7(8)9-3/h5H,4H2,1-3H3/b6-5-,9-7-.
What are the key properties of (Z)-N,2-dimethylpent-2-enimidoyl chloride?
(Z)-N,2-dimethylpent-2-enimidoyl chloride 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 (Z)-N,2-dimethylpent-2-enimidoyl chloride is sourced from PubChem (CID 142087024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).