N-[(3Z)-penta-1,3-dien-2-yl]methanimidoyl chloride

C6H8ClN — CID 145049200

IUPACN-[(3Z)-penta-1,3-dien-2-yl]methanimidoyl chloride
SMILESC=C(/C=C\C)/N=C/Cl
InChIInChI=1S/C6H8ClN/c1-3-4-6(2)8-5-7/h3-5H,2H2,1H3/b4-3-,8-5+
InChIKeySPKDVLOBFDEZPA-HMRFFJRGSA-N
MW129.59 g/mol
LogP2.34
Rot. Bonds2

About N-[(3Z)-penta-1,3-dien-2-yl]methanimidoyl chloride

N-[(3Z)-penta-1,3-dien-2-yl]methanimidoyl chloride (PubChem CID 145049200) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is N-[(3Z)-penta-1,3-dien-2-yl]methanimidoyl chloride.

Molecular Properties

Compound NameN-[(3Z)-penta-1,3-dien-2-yl]methanimidoyl chloride
PubChem CID145049200
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC NameN-[(3Z)-penta-1,3-dien-2-yl]methanimidoyl chloride
SMILESC=C(/C=C\C)/N=C/Cl
InChIInChI=1S/C6H8ClN/c1-3-4-6(2)8-5-7/h3-5H,2H2,1H3/b4-3-,8-5+
InChIKeySPKDVLOBFDEZPA-HMRFFJRGSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-penta-1,3-dien-2-ylmethanimine
CID 86063273
N-[(2Z,4Z)-hexa-2,4-dien-2-yl]methanimine
CID 88986031
N-hexa-1,3,5-trien-2-ylmethanimine
CID 90786608
N-penta-2,4-dien-2-ylmethanimine
CID 91009510
N-[(3E)-penta-1,3-dien-2-yl]methanimine
CID 101767236
N-hexa-2,4-dien-2-ylmethanimine
CID 123156262
N-(5-chlorohexa-2,4-dien-2-yl)methanimine
CID 123399701
N-[(3Z,5Z)-hepta-1,3,5-trien-3-yl]methanimine
CID 126490267
N-[(1E,3Z)-1-chloropenta-1,3-dienyl]methanimine
CID 131967116
N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimine
CID 132030906
N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]methanimine
CID 132146809
N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]methanimine
CID 138477765

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-penta-1,3-dien-2-yl]methanimidoyl chloride?
The IUPAC name of N-[(3Z)-penta-1,3-dien-2-yl]methanimidoyl chloride (CID 145049200) is N-[(3Z)-penta-1,3-dien-2-yl]methanimidoyl chloride.
What is the SMILES notation for N-[(3Z)-penta-1,3-dien-2-yl]methanimidoyl chloride?
The canonical SMILES for N-[(3Z)-penta-1,3-dien-2-yl]methanimidoyl chloride is C=C(/C=C\C)/N=C/Cl.
What is the InChIKey of N-[(3Z)-penta-1,3-dien-2-yl]methanimidoyl chloride?
The InChIKey is SPKDVLOBFDEZPA-HMRFFJRGSA-N. The full InChI is InChI=1S/C6H8ClN/c1-3-4-6(2)8-5-7/h3-5H,2H2,1H3/b4-3-,8-5+.
What are the key properties of N-[(3Z)-penta-1,3-dien-2-yl]methanimidoyl chloride?
N-[(3Z)-penta-1,3-dien-2-yl]methanimidoyl chloride has a molecular weight of 129.59 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-penta-1,3-dien-2-yl]methanimidoyl chloride is sourced from PubChem (CID 145049200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).