N-[(3Z)-penta-1,3-dien-3-yl]pent-1-en-3-imine

C10H15N — CID 170087615

IUPACN-[(3Z)-penta-1,3-dien-3-yl]pent-1-en-3-imine
SMILESC=CC(=C/C)/N=C(\C=C)CC
InChIInChI=1S/C10H15N/c1-5-9(6-2)11-10(7-3)8-4/h5-7H,1,3,8H2,2,4H3/b9-6-,11-10+
InChIKeyZULIAMWJXJUPHG-KBCDKWTQSA-N
MW149.24 g/mol
LogP3.11
Rot. Bonds4

About N-[(3Z)-penta-1,3-dien-3-yl]pent-1-en-3-imine

N-[(3Z)-penta-1,3-dien-3-yl]pent-1-en-3-imine (PubChem CID 170087615) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-[(3Z)-penta-1,3-dien-3-yl]pent-1-en-3-imine.

Molecular Properties

Compound NameN-[(3Z)-penta-1,3-dien-3-yl]pent-1-en-3-imine
PubChem CID170087615
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-[(3Z)-penta-1,3-dien-3-yl]pent-1-en-3-imine
SMILESC=CC(=C/C)/N=C(\C=C)CC
InChIInChI=1S/C10H15N/c1-5-9(6-2)11-10(7-3)8-4/h5-7H,1,3,8H2,2,4H3/b9-6-,11-10+
InChIKeyZULIAMWJXJUPHG-KBCDKWTQSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.11
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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Related Compounds

ethane;N-ethenylpent-1-en-3-imine
CID 143591103
(E)-2-N-methyl-1-(pent-1-en-3-ylideneamino)prop-1-ene-1,2-diamine
CID 129204127
N,N-dimethylmethanamine;N-pent-1-en-3-ylidenehydroxylamine;silane
CID 174664874
(Z)-N-[(3Z)-penta-1,3-dien-3-yl]hept-4-en-1-imine
CID 118616221
ethane;(Z)-[(4Z)-hepta-4,6-dien-3-ylidene]hydrazine
CID 165132847
3-methylidenepent-1-ene
CID 18850
(3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol
CID 142201906
5-methyl-N-prop-1-en-2-ylhex-1-en-3-imine
CID 145061781
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
2-[(Z)-but-1-enyl]iminobut-3-en-1-ol
CID 126762670
methane;(Z)-3-methylpent-2-ene;prop-1-ene
CID 142993133
ethane;(3Z)-3-methylpenta-1,3-diene;propane
CID 143719744

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-penta-1,3-dien-3-yl]pent-1-en-3-imine?
The IUPAC name of N-[(3Z)-penta-1,3-dien-3-yl]pent-1-en-3-imine (CID 170087615) is N-[(3Z)-penta-1,3-dien-3-yl]pent-1-en-3-imine.
What is the SMILES notation for N-[(3Z)-penta-1,3-dien-3-yl]pent-1-en-3-imine?
The canonical SMILES for N-[(3Z)-penta-1,3-dien-3-yl]pent-1-en-3-imine is C=CC(=C/C)/N=C(\C=C)CC.
What is the InChIKey of N-[(3Z)-penta-1,3-dien-3-yl]pent-1-en-3-imine?
The InChIKey is ZULIAMWJXJUPHG-KBCDKWTQSA-N. The full InChI is InChI=1S/C10H15N/c1-5-9(6-2)11-10(7-3)8-4/h5-7H,1,3,8H2,2,4H3/b9-6-,11-10+.
What are the key properties of N-[(3Z)-penta-1,3-dien-3-yl]pent-1-en-3-imine?
N-[(3Z)-penta-1,3-dien-3-yl]pent-1-en-3-imine has a molecular weight of 149.24 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-penta-1,3-dien-3-yl]pent-1-en-3-imine is sourced from PubChem (CID 170087615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).