N-pent-2-en-3-ylhexa-1,4,5-trien-1-imine

C11H15N — CID 123640916

IUPACN-pent-2-en-3-ylhexa-1,4,5-trien-1-imine
SMILESC=C=CCC=C=NC(=CC)CC
InChIInChI=1S/C11H15N/c1-4-7-8-9-10-12-11(5-2)6-3/h5,7,9H,1,6,8H2,2-3H3
InChIKeyNBNMNBCZVMMRPN-UHFFFAOYSA-N
MW161.25 g/mol
LogP3.26
Rot. Bonds4

About N-pent-2-en-3-ylhexa-1,4,5-trien-1-imine

N-pent-2-en-3-ylhexa-1,4,5-trien-1-imine (PubChem CID 123640916) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-pent-2-en-3-ylhexa-1,4,5-trien-1-imine.

Molecular Properties

Compound NameN-pent-2-en-3-ylhexa-1,4,5-trien-1-imine
PubChem CID123640916
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-pent-2-en-3-ylhexa-1,4,5-trien-1-imine
SMILESC=C=CCC=C=NC(=CC)CC
InChIInChI=1S/C11H15N/c1-4-7-8-9-10-12-11(5-2)6-3/h5,7,9H,1,6,8H2,2-3H3
InChIKeyNBNMNBCZVMMRPN-UHFFFAOYSA-N
XLogP3.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.26
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

(E)-3-fluoro-N-prop-1-en-2-ylpent-3-en-2-imine
CID 117805296
N-[(Z)-4-methylpent-2-en-3-yl]ethanimidoyl fluoride
CID 169797948
2,4,6-Trimethyl-1-azacyclohepta-2,4,6,7-tetraene
CID 71347975
N-pent-2-en-2-ylmethanimine
CID 57118992
N-[(4Z)-hexa-1,4-dien-2-yl]methanimine
CID 88897198
N-[(3Z)-hexa-3,5-dien-3-yl]propan-2-imine
CID 89277557
4-methyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 89299679
N-[(E)-hept-3-en-3-yl]propan-2-imine
CID 90908636
N-(2-methylhexa-3,5-dien-3-yl)prop-1-en-1-imine
CID 90908708
N-pent-2-en-3-ylmethanimine
CID 91032118
2,5-dimethyl-3H-pyrrole;ethane
CID 91053925
(Z)-N-prop-1-en-2-ylpent-3-en-2-imine
CID 121360794

Frequently Asked Questions

What is the IUPAC name of N-pent-2-en-3-ylhexa-1,4,5-trien-1-imine?
The IUPAC name of N-pent-2-en-3-ylhexa-1,4,5-trien-1-imine (CID 123640916) is N-pent-2-en-3-ylhexa-1,4,5-trien-1-imine.
What is the SMILES notation for N-pent-2-en-3-ylhexa-1,4,5-trien-1-imine?
The canonical SMILES for N-pent-2-en-3-ylhexa-1,4,5-trien-1-imine is C=C=CCC=C=NC(=CC)CC.
What is the InChIKey of N-pent-2-en-3-ylhexa-1,4,5-trien-1-imine?
The InChIKey is NBNMNBCZVMMRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-4-7-8-9-10-12-11(5-2)6-3/h5,7,9H,1,6,8H2,2-3H3.
What are the key properties of N-pent-2-en-3-ylhexa-1,4,5-trien-1-imine?
N-pent-2-en-3-ylhexa-1,4,5-trien-1-imine has a molecular weight of 161.25 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-2-en-3-ylhexa-1,4,5-trien-1-imine is sourced from PubChem (CID 123640916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).