N-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine

C9H13N — CID 166868320

IUPACN-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
SMILESC=C/C=C(/C=C\C)CN=C
InChIInChI=1S/C9H13N/c1-4-6-9(7-5-2)8-10-3/h4-7H,1,3,8H2,2H3/b7-5-,9-6-
InChIKeyQKMPIAHSQZJMBI-BSIYMUDXSA-N
MW135.21 g/mol
LogP2.38
Rot. Bonds4

About N-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine

N-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine (PubChem CID 166868320) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine.

Molecular Properties

Compound NameN-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
PubChem CID166868320
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
SMILESC=C/C=C(/C=C\C)CN=C
InChIInChI=1S/C9H13N/c1-4-6-9(7-5-2)8-10-3/h4-7H,1,3,8H2,2H3/b7-5-,9-6-
InChIKeyQKMPIAHSQZJMBI-BSIYMUDXSA-N
XLogP2.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.38
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

N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 142294235
ethane;(3E,5Z)-4-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 142823912
N-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]prop-2-en-1-imine
CID 143612391
ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
CID 142022123
ethane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienenitrile
CID 142107986
N-[(E)-4-fluoro-2-[(Z)-prop-1-enyl]hex-2-en-5-ynyl]methanimine
CID 142913484
(4Z)-N,2-dioxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide;ethane
CID 143265988
(3Z,6Z,7Z)-6-ethylidene-4-[(Z)-prop-1-enyl]deca-1,3,7-triene
CID 144556498
(3Z,6Z,7Z)-4-ethenyl-6-(methoxymethylidene)nona-1,3,7-triene
CID 143921031
(3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 134516324
propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene
CID 143651334
(6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one
CID 163240839

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine?
The IUPAC name of N-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine (CID 166868320) is N-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine.
What is the SMILES notation for N-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine?
The canonical SMILES for N-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine is C=C/C=C(/C=C\C)CN=C.
What is the InChIKey of N-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine?
The InChIKey is QKMPIAHSQZJMBI-BSIYMUDXSA-N. The full InChI is InChI=1S/C9H13N/c1-4-6-9(7-5-2)8-10-3/h4-7H,1,3,8H2,2H3/b7-5-,9-6-.
What are the key properties of N-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine?
N-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine has a molecular weight of 135.21 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine is sourced from PubChem (CID 166868320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).