N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride

C10H14ClN — CID 156878075

IUPACN-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride
SMILESC=C/C(=C\N=C(/Cl)C=C)C(C)C
InChIInChI=1S/C10H14ClN/c1-5-9(8(3)4)7-12-10(11)6-2/h5-8H,1-2H2,3-4H3/b9-7+,12-10-
InChIKeyYOBATVRURHIADU-IOIMVZBSSA-N
MW183.68 g/mol
LogP3.54
Rot. Bonds4

About N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride

N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride (PubChem CID 156878075) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride.

Molecular Properties

Compound NameN-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride
PubChem CID156878075
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC NameN-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride
SMILESC=C/C(=C\N=C(/Cl)C=C)C(C)C
InChIInChI=1S/C10H14ClN/c1-5-9(8(3)4)7-12-10(11)6-2/h5-8H,1-2H2,3-4H3/b9-7+,12-10-
InChIKeyYOBATVRURHIADU-IOIMVZBSSA-N
XLogP3.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.54
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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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride?
The IUPAC name of N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride (CID 156878075) is N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride.
What is the SMILES notation for N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride?
The canonical SMILES for N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride is C=C/C(=C\N=C(/Cl)C=C)C(C)C.
What is the InChIKey of N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride?
The InChIKey is YOBATVRURHIADU-IOIMVZBSSA-N. The full InChI is InChI=1S/C10H14ClN/c1-5-9(8(3)4)7-12-10(11)6-2/h5-8H,1-2H2,3-4H3/b9-7+,12-10-.
What are the key properties of N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride?
N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride has a molecular weight of 183.68 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride is sourced from PubChem (CID 156878075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).