3-prop-1-en-2-ylhexa-2,4-dien-1-imine

C9H13N — CID 123815278

IUPAC3-prop-1-en-2-ylhexa-2,4-dien-1-imine
SMILES[H]/N=C/C=C(C=CC)C(=C)C
InChIInChI=1S/C9H13N/c1-4-5-9(6-7-10)8(2)3/h4-7,10H,2H2,1,3H3/b5-4?,9-6?,10-7+
InChIKeyLNTFKIMYGARFMH-SMWRHNFLSA-N
MW135.21 g/mol
LogP2.71
Rot. Bonds3

About 3-prop-1-en-2-ylhexa-2,4-dien-1-imine

3-prop-1-en-2-ylhexa-2,4-dien-1-imine (PubChem CID 123815278) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 3-prop-1-en-2-ylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name3-prop-1-en-2-ylhexa-2,4-dien-1-imine
PubChem CID123815278
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name3-prop-1-en-2-ylhexa-2,4-dien-1-imine
SMILES[H]/N=C/C=C(C=CC)C(=C)C
InChIInChI=1S/C9H13N/c1-4-5-9(6-7-10)8(2)3/h4-7,10H,2H2,1,3H3/b5-4?,9-6?,10-7+
InChIKeyLNTFKIMYGARFMH-SMWRHNFLSA-N
XLogP2.71
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
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

(2Z)-3-ethenyl-4-methylpenta-2,4-dien-1-imine;propane
CID 143747479
(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
CID 142964222
(2Z,4Z)-3-ethenylhexa-2,4-dien-1-imine
CID 122644792
(E)-2-prop-1-en-2-ylbut-2-en-1-imine
CID 90933098
(3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 144683889
methane;(2Z,4E,6E,8E)-5-prop-1-en-2-yldeca-2,4,6,8-tetraene
CID 163241404
(2Z)-2,3-di(ethylidene)hex-4-en-1-imine
CID 123621757
(3Z,5E,7E)-N-methyl-6-prop-1-en-2-ylnona-3,5,7-trien-1-yn-3-amine
CID 166803174
(2E,6E)-3-methylocta-2,6-dien-1-imine;prop-1-ene
CID 163243762
3-N-ethylidenebut-2-ene-1,3-diimine
CID 91606958
ethane;(Z)-2-methylbut-2-ene-1,4-diimine
CID 142083351

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-ylhexa-2,4-dien-1-imine?
The IUPAC name of 3-prop-1-en-2-ylhexa-2,4-dien-1-imine (CID 123815278) is 3-prop-1-en-2-ylhexa-2,4-dien-1-imine.
What is the SMILES notation for 3-prop-1-en-2-ylhexa-2,4-dien-1-imine?
The canonical SMILES for 3-prop-1-en-2-ylhexa-2,4-dien-1-imine is [H]/N=C/C=C(C=CC)C(=C)C.
What is the InChIKey of 3-prop-1-en-2-ylhexa-2,4-dien-1-imine?
The InChIKey is LNTFKIMYGARFMH-SMWRHNFLSA-N. The full InChI is InChI=1S/C9H13N/c1-4-5-9(6-7-10)8(2)3/h4-7,10H,2H2,1,3H3/b5-4?,9-6?,10-7+.
What are the key properties of 3-prop-1-en-2-ylhexa-2,4-dien-1-imine?
3-prop-1-en-2-ylhexa-2,4-dien-1-imine has a molecular weight of 135.21 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-ylhexa-2,4-dien-1-imine is sourced from PubChem (CID 123815278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).