N-pent-1-en-2-ylprop-2-en-1-imine

C8H13N — CID 142986997

IUPACN-pent-1-en-2-ylprop-2-en-1-imine
SMILESC=C/C=N/C(=C)CCC
InChIInChI=1S/C8H13N/c1-4-6-8(3)9-7-5-2/h5,7H,2-4,6H2,1H3/b9-7+
InChIKeyHFHYXWGUZLOZRP-VQHVLOKHSA-N
MW123.20 g/mol
LogP2.56
Rot. Bonds4

About N-pent-1-en-2-ylprop-2-en-1-imine

N-pent-1-en-2-ylprop-2-en-1-imine (PubChem CID 142986997) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-pent-1-en-2-ylprop-2-en-1-imine.

Molecular Properties

Compound NameN-pent-1-en-2-ylprop-2-en-1-imine
PubChem CID142986997
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-pent-1-en-2-ylprop-2-en-1-imine
SMILESC=C/C=N/C(=C)CCC
InChIInChI=1S/C8H13N/c1-4-6-8(3)9-7-5-2/h5,7H,2-4,6H2,1H3/b9-7+
InChIKeyHFHYXWGUZLOZRP-VQHVLOKHSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.56
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

butane;N-prop-1-en-2-ylprop-2-en-1-imine
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CID 164877658
CID 172586051
CID 172586051
(Z)-N-ethyl-1-(prop-2-enylideneamino)-N-propylprop-1-en-1-amine
CID 174008881
N-[(Z)-prop-2-enylideneamino]propan-1-amine
CID 166786300
(Z)-2-(prop-2-enylideneamino)but-2-en-1-amine
CID 142031575
4,5-dimethylideneoctane
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methane;2-methylpent-1-ene;bis(prop-1-ene)
CID 159090973
(3Z)-hepta-1,3-dien-4-ol
CID 23128228
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Frequently Asked Questions

What is the IUPAC name of N-pent-1-en-2-ylprop-2-en-1-imine?
The IUPAC name of N-pent-1-en-2-ylprop-2-en-1-imine (CID 142986997) is N-pent-1-en-2-ylprop-2-en-1-imine.
What is the SMILES notation for N-pent-1-en-2-ylprop-2-en-1-imine?
The canonical SMILES for N-pent-1-en-2-ylprop-2-en-1-imine is C=C/C=N/C(=C)CCC.
What is the InChIKey of N-pent-1-en-2-ylprop-2-en-1-imine?
The InChIKey is HFHYXWGUZLOZRP-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H13N/c1-4-6-8(3)9-7-5-2/h5,7H,2-4,6H2,1H3/b9-7+.
What are the key properties of N-pent-1-en-2-ylprop-2-en-1-imine?
N-pent-1-en-2-ylprop-2-en-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-en-2-ylprop-2-en-1-imine is sourced from PubChem (CID 142986997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).