(NZ)-N'-methyl-N-(3-methylbut-3-en-2-ylidene)carbamimidoyl chloride

C7H11ClN2 — CID 142498627

IUPAC(NZ)-N'-methyl-N-(3-methylbut-3-en-2-ylidene)carbamimidoyl chloride
SMILESC=C(C)/C(C)=N\C(Cl)=N\C
InChIInChI=1S/C7H11ClN2/c1-5(2)6(3)10-7(8)9-4/h1H2,2-4H3/b9-7+,10-6-
InChIKeyIBCMSRPXZICPHV-BVCWLXBRSA-N
MW158.63 g/mol
LogP2.25
Rot. Bonds1

About (NZ)-N'-methyl-N-(3-methylbut-3-en-2-ylidene)carbamimidoyl chloride

(NZ)-N'-methyl-N-(3-methylbut-3-en-2-ylidene)carbamimidoyl chloride (PubChem CID 142498627) has the molecular formula C7H11ClN2 and a molecular weight of 158.63 g/mol. Its IUPAC name is (NZ)-N'-methyl-N-(3-methylbut-3-en-2-ylidene)carbamimidoyl chloride.

Molecular Properties

Compound Name(NZ)-N'-methyl-N-(3-methylbut-3-en-2-ylidene)carbamimidoyl chloride
PubChem CID142498627
Molecular FormulaC7H11ClN2
Molecular Weight158.63 g/mol
Exact Mass158.06
IUPAC Name(NZ)-N'-methyl-N-(3-methylbut-3-en-2-ylidene)carbamimidoyl chloride
SMILESC=C(C)/C(C)=N\C(Cl)=N\C
InChIInChI=1S/C7H11ClN2/c1-5(2)6(3)10-7(8)9-4/h1H2,2-4H3/b9-7+,10-6-
InChIKeyIBCMSRPXZICPHV-BVCWLXBRSA-N
XLogP2.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-(3-methylbut-3-en-2-ylidene)ethanimidamide
CID 134225164
ethane;N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide
CID 142218579
N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide
CID 142218580
N'-methyl-N-(2-methylpent-1-en-3-ylidene)methanimidamide
CID 148424294

Frequently Asked Questions

What is the IUPAC name of (NZ)-N'-methyl-N-(3-methylbut-3-en-2-ylidene)carbamimidoyl chloride?
The IUPAC name of (NZ)-N'-methyl-N-(3-methylbut-3-en-2-ylidene)carbamimidoyl chloride (CID 142498627) is (NZ)-N'-methyl-N-(3-methylbut-3-en-2-ylidene)carbamimidoyl chloride.
What is the SMILES notation for (NZ)-N'-methyl-N-(3-methylbut-3-en-2-ylidene)carbamimidoyl chloride?
The canonical SMILES for (NZ)-N'-methyl-N-(3-methylbut-3-en-2-ylidene)carbamimidoyl chloride is C=C(C)/C(C)=N\C(Cl)=N\C.
What is the InChIKey of (NZ)-N'-methyl-N-(3-methylbut-3-en-2-ylidene)carbamimidoyl chloride?
The InChIKey is IBCMSRPXZICPHV-BVCWLXBRSA-N. The full InChI is InChI=1S/C7H11ClN2/c1-5(2)6(3)10-7(8)9-4/h1H2,2-4H3/b9-7+,10-6-.
What are the key properties of (NZ)-N'-methyl-N-(3-methylbut-3-en-2-ylidene)carbamimidoyl chloride?
(NZ)-N'-methyl-N-(3-methylbut-3-en-2-ylidene)carbamimidoyl chloride has a molecular weight of 158.63 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N'-methyl-N-(3-methylbut-3-en-2-ylidene)carbamimidoyl chloride is sourced from PubChem (CID 142498627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).