N'-[(Z)-3-chloroprop-1-enyl]-N-methylideneethanimidamide

C6H9ClN2 — CID 143225748

IUPACN'-[(Z)-3-chloroprop-1-enyl]-N-methylideneethanimidamide
SMILESC=N/C(C)=N/C=C\CCl
InChIInChI=1S/C6H9ClN2/c1-6(8-2)9-5-3-4-7/h3,5H,2,4H2,1H3/b5-3-,9-6+
InChIKeyPQZAKNAWULVTPV-PAEKIZANSA-N
MW144.60 g/mol
LogP1.86
Rot. Bonds2

About N'-[(Z)-3-chloroprop-1-enyl]-N-methylideneethanimidamide

N'-[(Z)-3-chloroprop-1-enyl]-N-methylideneethanimidamide (PubChem CID 143225748) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is N'-[(Z)-3-chloroprop-1-enyl]-N-methylideneethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-3-chloroprop-1-enyl]-N-methylideneethanimidamide
PubChem CID143225748
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC NameN'-[(Z)-3-chloroprop-1-enyl]-N-methylideneethanimidamide
SMILESC=N/C(C)=N/C=C\CCl
InChIInChI=1S/C6H9ClN2/c1-6(8-2)9-5-3-4-7/h3,5H,2,4H2,1H3/b5-3-,9-6+
InChIKeyPQZAKNAWULVTPV-PAEKIZANSA-N
XLogP1.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-3-chloroprop-1-enyl]-N-methylideneethanimidamide?
The IUPAC name of N'-[(Z)-3-chloroprop-1-enyl]-N-methylideneethanimidamide (CID 143225748) is N'-[(Z)-3-chloroprop-1-enyl]-N-methylideneethanimidamide.
What is the SMILES notation for N'-[(Z)-3-chloroprop-1-enyl]-N-methylideneethanimidamide?
The canonical SMILES for N'-[(Z)-3-chloroprop-1-enyl]-N-methylideneethanimidamide is C=N/C(C)=N/C=C\CCl.
What is the InChIKey of N'-[(Z)-3-chloroprop-1-enyl]-N-methylideneethanimidamide?
The InChIKey is PQZAKNAWULVTPV-PAEKIZANSA-N. The full InChI is InChI=1S/C6H9ClN2/c1-6(8-2)9-5-3-4-7/h3,5H,2,4H2,1H3/b5-3-,9-6+.
What are the key properties of N'-[(Z)-3-chloroprop-1-enyl]-N-methylideneethanimidamide?
N'-[(Z)-3-chloroprop-1-enyl]-N-methylideneethanimidamide has a molecular weight of 144.60 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-3-chloroprop-1-enyl]-N-methylideneethanimidamide is sourced from PubChem (CID 143225748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).