[2-[(Z)-pent-1-enyl]cyclohexa-1,3-dien-1-yl]methanimine

C12H17N — CID 142050046

IUPAC[2-[(Z)-pent-1-enyl]cyclohexa-1,3-dien-1-yl]methanimine
SMILES[H]/N=C/C1=C(/C=C\CCC)C=CCC1
InChIInChI=1S/C12H17N/c1-2-3-4-7-11-8-5-6-9-12(11)10-13/h4-5,7-8,10,13H,2-3,6,9H2,1H3/b7-4-,13-10+
InChIKeySDCKMMLTNTYRLU-ZPSMGGMLSA-N
MW175.27 g/mol
LogP3.64
Rot. Bonds4

About [2-[(Z)-pent-1-enyl]cyclohexa-1,3-dien-1-yl]methanimine

[2-[(Z)-pent-1-enyl]cyclohexa-1,3-dien-1-yl]methanimine (PubChem CID 142050046) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is [2-[(Z)-pent-1-enyl]cyclohexa-1,3-dien-1-yl]methanimine.

Molecular Properties

Compound Name[2-[(Z)-pent-1-enyl]cyclohexa-1,3-dien-1-yl]methanimine
PubChem CID142050046
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name[2-[(Z)-pent-1-enyl]cyclohexa-1,3-dien-1-yl]methanimine
SMILES[H]/N=C/C1=C(/C=C\CCC)C=CCC1
InChIInChI=1S/C12H17N/c1-2-3-4-7-11-8-5-6-9-12(11)10-13/h4-5,7-8,10,13H,2-3,6,9H2,1H3/b7-4-,13-10+
InChIKeySDCKMMLTNTYRLU-ZPSMGGMLSA-N
XLogP3.64
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-pent-1-enyl]cyclohexa-1,3-dien-1-yl]methanimine?
The IUPAC name of [2-[(Z)-pent-1-enyl]cyclohexa-1,3-dien-1-yl]methanimine (CID 142050046) is [2-[(Z)-pent-1-enyl]cyclohexa-1,3-dien-1-yl]methanimine.
What is the SMILES notation for [2-[(Z)-pent-1-enyl]cyclohexa-1,3-dien-1-yl]methanimine?
The canonical SMILES for [2-[(Z)-pent-1-enyl]cyclohexa-1,3-dien-1-yl]methanimine is [H]/N=C/C1=C(/C=C\CCC)C=CCC1.
What is the InChIKey of [2-[(Z)-pent-1-enyl]cyclohexa-1,3-dien-1-yl]methanimine?
The InChIKey is SDCKMMLTNTYRLU-ZPSMGGMLSA-N. The full InChI is InChI=1S/C12H17N/c1-2-3-4-7-11-8-5-6-9-12(11)10-13/h4-5,7-8,10,13H,2-3,6,9H2,1H3/b7-4-,13-10+.
What are the key properties of [2-[(Z)-pent-1-enyl]cyclohexa-1,3-dien-1-yl]methanimine?
[2-[(Z)-pent-1-enyl]cyclohexa-1,3-dien-1-yl]methanimine has a molecular weight of 175.27 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-pent-1-enyl]cyclohexa-1,3-dien-1-yl]methanimine is sourced from PubChem (CID 142050046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).