N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidoyl chloride

C7H8ClN — CID 144860153

IUPACN-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidoyl chloride
SMILESC=C/C=C\C(=C)/N=C/Cl
InChIInChI=1S/C7H8ClN/c1-3-4-5-7(2)9-6-8/h3-6H,1-2H2/b5-4-,9-6+
InChIKeyCGCMKDBWBMVGIL-KMOPYBJPSA-N
MW141.60 g/mol
LogP2.51
Rot. Bonds3

About N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidoyl chloride

N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidoyl chloride (PubChem CID 144860153) has the molecular formula C7H8ClN and a molecular weight of 141.60 g/mol. Its IUPAC name is N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidoyl chloride.

Molecular Properties

Compound NameN-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidoyl chloride
PubChem CID144860153
Molecular FormulaC7H8ClN
Molecular Weight141.60 g/mol
Exact Mass141.03
IUPAC NameN-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidoyl chloride
SMILESC=C/C=C\C(=C)/N=C/Cl
InChIInChI=1S/C7H8ClN/c1-3-4-5-7(2)9-6-8/h3-6H,1-2H2/b5-4-,9-6+
InChIKeyCGCMKDBWBMVGIL-KMOPYBJPSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.60
LogP ≤ 52.51
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-[(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
N-[(2Z)-penta-2,4-dien-2-yl]methanimine
CID 141770597

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidoyl chloride?
The IUPAC name of N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidoyl chloride (CID 144860153) is N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidoyl chloride.
What is the SMILES notation for N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidoyl chloride?
The canonical SMILES for N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidoyl chloride is C=C/C=C\C(=C)/N=C/Cl.
What is the InChIKey of N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidoyl chloride?
The InChIKey is CGCMKDBWBMVGIL-KMOPYBJPSA-N. The full InChI is InChI=1S/C7H8ClN/c1-3-4-5-7(2)9-6-8/h3-6H,1-2H2/b5-4-,9-6+.
What are the key properties of N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidoyl chloride?
N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidoyl chloride has a molecular weight of 141.60 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidoyl chloride is sourced from PubChem (CID 144860153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).