N-[(Z)-4-methyliminopent-2-en-2-yl]methanimidoyl chloride

C7H11ClN2 — CID 167117244

IUPACN-[(Z)-4-methyliminopent-2-en-2-yl]methanimidoyl chloride
SMILESC/N=C(C)/C=C(C)\N=C\Cl
InChIInChI=1S/C7H11ClN2/c1-6(9-3)4-7(2)10-5-8/h4-5H,1-3H3/b7-4-,9-6+,10-5+
InChIKeyDQSDETWQAMUHOU-BIQAAJEFSA-N
MW158.63 g/mol
LogP2.25
Rot. Bonds2

About N-[(Z)-4-methyliminopent-2-en-2-yl]methanimidoyl chloride

N-[(Z)-4-methyliminopent-2-en-2-yl]methanimidoyl chloride (PubChem CID 167117244) has the molecular formula C7H11ClN2 and a molecular weight of 158.63 g/mol. Its IUPAC name is N-[(Z)-4-methyliminopent-2-en-2-yl]methanimidoyl chloride.

Molecular Properties

Compound NameN-[(Z)-4-methyliminopent-2-en-2-yl]methanimidoyl chloride
PubChem CID167117244
Molecular FormulaC7H11ClN2
Molecular Weight158.63 g/mol
Exact Mass158.06
IUPAC NameN-[(Z)-4-methyliminopent-2-en-2-yl]methanimidoyl chloride
SMILESC/N=C(C)/C=C(C)\N=C\Cl
InChIInChI=1S/C7H11ClN2/c1-6(9-3)4-7(2)10-5-8/h4-5H,1-3H3/b7-4-,9-6+,10-5+
InChIKeyDQSDETWQAMUHOU-BIQAAJEFSA-N
XLogP2.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-methyliminopent-2-en-2-yl]methanimidoyl chloride?
The IUPAC name of N-[(Z)-4-methyliminopent-2-en-2-yl]methanimidoyl chloride (CID 167117244) is N-[(Z)-4-methyliminopent-2-en-2-yl]methanimidoyl chloride.
What is the SMILES notation for N-[(Z)-4-methyliminopent-2-en-2-yl]methanimidoyl chloride?
The canonical SMILES for N-[(Z)-4-methyliminopent-2-en-2-yl]methanimidoyl chloride is C/N=C(C)/C=C(C)\N=C\Cl.
What is the InChIKey of N-[(Z)-4-methyliminopent-2-en-2-yl]methanimidoyl chloride?
The InChIKey is DQSDETWQAMUHOU-BIQAAJEFSA-N. The full InChI is InChI=1S/C7H11ClN2/c1-6(9-3)4-7(2)10-5-8/h4-5H,1-3H3/b7-4-,9-6+,10-5+.
What are the key properties of N-[(Z)-4-methyliminopent-2-en-2-yl]methanimidoyl chloride?
N-[(Z)-4-methyliminopent-2-en-2-yl]methanimidoyl chloride has a molecular weight of 158.63 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-methyliminopent-2-en-2-yl]methanimidoyl chloride is sourced from PubChem (CID 167117244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).