N-(3-chloropent-3-enyl)pent-3-en-2-imine

C10H16ClN — CID 123811258

IUPACN-(3-chloropent-3-enyl)pent-3-en-2-imine
SMILESCC=C/C(C)=N/CCC(Cl)=CC
InChIInChI=1S/C10H16ClN/c1-4-6-9(3)12-8-7-10(11)5-2/h4-6H,7-8H2,1-3H3/b6-4?,10-5?,12-9+
InChIKeyHVGKSKVQDGEDKY-HWXBUHSISA-N
MW185.70 g/mol
LogP3.56
Rot. Bonds4

About N-(3-chloropent-3-enyl)pent-3-en-2-imine

N-(3-chloropent-3-enyl)pent-3-en-2-imine (PubChem CID 123811258) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is N-(3-chloropent-3-enyl)pent-3-en-2-imine.

Molecular Properties

Compound NameN-(3-chloropent-3-enyl)pent-3-en-2-imine
PubChem CID123811258
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC NameN-(3-chloropent-3-enyl)pent-3-en-2-imine
SMILESCC=C/C(C)=N/CCC(Cl)=CC
InChIInChI=1S/C10H16ClN/c1-4-6-9(3)12-8-7-10(11)5-2/h4-6H,7-8H2,1-3H3/b6-4?,10-5?,12-9+
InChIKeyHVGKSKVQDGEDKY-HWXBUHSISA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 21188343
(E)-4-chloro-N-methylpent-3-en-2-imine
CID 58359864
4-chloro-N-methylpent-3-en-2-imine
CID 76733626
N-prop-2-enylhex-3-en-2-imine
CID 86159650
(E)-N-butan-2-ylpent-2-enimidoyl chloride
CID 88602492
N-[(3E)-3-chloro-6-methylhepta-3,5-dienyl]propan-2-imine
CID 89367414
3-Chloro-6-methyl-2,3-dihydropyridine
CID 89932265
(3R)-3-chloro-6-methyl-2,3-dihydropyridine
CID 89932269
ethyl-[(5Z)-hepta-2,5-dien-4-ylidene]-methylazanium
CID 89961014
(Z)-N-ethyl-5-methylhex-3-en-2-imine
CID 90713903
3-chloro-7-methyl-4H-azepine
CID 91274266
N-propylhept-4-en-3-imine
CID 91309689

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropent-3-enyl)pent-3-en-2-imine?
The IUPAC name of N-(3-chloropent-3-enyl)pent-3-en-2-imine (CID 123811258) is N-(3-chloropent-3-enyl)pent-3-en-2-imine.
What is the SMILES notation for N-(3-chloropent-3-enyl)pent-3-en-2-imine?
The canonical SMILES for N-(3-chloropent-3-enyl)pent-3-en-2-imine is CC=C/C(C)=N/CCC(Cl)=CC.
What is the InChIKey of N-(3-chloropent-3-enyl)pent-3-en-2-imine?
The InChIKey is HVGKSKVQDGEDKY-HWXBUHSISA-N. The full InChI is InChI=1S/C10H16ClN/c1-4-6-9(3)12-8-7-10(11)5-2/h4-6H,7-8H2,1-3H3/b6-4?,10-5?,12-9+.
What are the key properties of N-(3-chloropent-3-enyl)pent-3-en-2-imine?
N-(3-chloropent-3-enyl)pent-3-en-2-imine has a molecular weight of 185.70 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropent-3-enyl)pent-3-en-2-imine is sourced from PubChem (CID 123811258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).