N-methyl-3-(methylideneamino)pent-2-enimidoyl chloride

C7H11ClN2 — CID 91495436

IUPACN-methyl-3-(methylideneamino)pent-2-enimidoyl chloride
SMILESC=NC(=C/C(Cl)=N/C)CC
InChIInChI=1S/C7H11ClN2/c1-4-6(9-2)5-7(8)10-3/h5H,2,4H2,1,3H3/b6-5?,10-7-
InChIKeyNSPXVQFLZPFIEP-NMVVBPQGSA-N
MW158.63 g/mol
LogP2.25
Rot. Bonds3

About N-methyl-3-(methylideneamino)pent-2-enimidoyl chloride

N-methyl-3-(methylideneamino)pent-2-enimidoyl chloride (PubChem CID 91495436) has the molecular formula C7H11ClN2 and a molecular weight of 158.63 g/mol. Its IUPAC name is N-methyl-3-(methylideneamino)pent-2-enimidoyl chloride.

Molecular Properties

Compound NameN-methyl-3-(methylideneamino)pent-2-enimidoyl chloride
PubChem CID91495436
Molecular FormulaC7H11ClN2
Molecular Weight158.63 g/mol
Exact Mass158.06
IUPAC NameN-methyl-3-(methylideneamino)pent-2-enimidoyl chloride
SMILESC=NC(=C/C(Cl)=N/C)CC
InChIInChI=1S/C7H11ClN2/c1-4-6(9-2)5-7(8)10-3/h5H,2,4H2,1,3H3/b6-5?,10-7-
InChIKeyNSPXVQFLZPFIEP-NMVVBPQGSA-N
XLogP2.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-3-(methylideneamino)pent-2-enimidoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide
CID 58104814
(Z)-N-methyl-3-(methylideneamino)but-2-enimidoyl chloride
CID 89278892
3-(ethylideneamino)-N-methylpent-2-enimidoyl chloride
CID 91363412
N-(4-chloropent-2-en-2-yl)methanimine
CID 123287572
1-N-methyl-3-N-methylidenepent-2-ene-1,3-diimine
CID 123496530
(Z)-4-N-methylidenepent-3-ene-2,4-diimine
CID 123578510
(Z)-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine
CID 123811273
2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine
CID 123896764
N-methyl-3-(methylideneamino)hex-2-enimidoyl chloride
CID 123915647
6-chloro-2-ethyl-4H-azepine
CID 138749575
(Z)-3-N-ethylidene-1-N-methylpent-2-ene-1,3-diimine
CID 139455838
6-chloro-2-methyl-4H-azepine
CID 141985943

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(methylideneamino)pent-2-enimidoyl chloride?
The IUPAC name of N-methyl-3-(methylideneamino)pent-2-enimidoyl chloride (CID 91495436) is N-methyl-3-(methylideneamino)pent-2-enimidoyl chloride.
What is the SMILES notation for N-methyl-3-(methylideneamino)pent-2-enimidoyl chloride?
The canonical SMILES for N-methyl-3-(methylideneamino)pent-2-enimidoyl chloride is C=NC(=C/C(Cl)=N/C)CC.
What is the InChIKey of N-methyl-3-(methylideneamino)pent-2-enimidoyl chloride?
The InChIKey is NSPXVQFLZPFIEP-NMVVBPQGSA-N. The full InChI is InChI=1S/C7H11ClN2/c1-4-6(9-2)5-7(8)10-3/h5H,2,4H2,1,3H3/b6-5?,10-7-.
What are the key properties of N-methyl-3-(methylideneamino)pent-2-enimidoyl chloride?
N-methyl-3-(methylideneamino)pent-2-enimidoyl chloride has a molecular weight of 158.63 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(methylideneamino)pent-2-enimidoyl chloride is sourced from PubChem (CID 91495436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).