N-[(Z)-prop-1-enyl]pent-1-en-3-imine

C8H13N — CID 88892313

IUPACN-[(Z)-prop-1-enyl]pent-1-en-3-imine
SMILESC=C/C(CC)=N\C=C/C
InChIInChI=1S/C8H13N/c1-4-7-9-8(5-2)6-3/h4-5,7H,2,6H2,1,3H3/b7-4-,9-8+
InChIKeyQSVIJMADMSFKNY-NKUJDFQBSA-N
MW123.20 g/mol
LogP2.56
Rot. Bonds3

About N-[(Z)-prop-1-enyl]pent-1-en-3-imine

N-[(Z)-prop-1-enyl]pent-1-en-3-imine (PubChem CID 88892313) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-[(Z)-prop-1-enyl]pent-1-en-3-imine.

Molecular Properties

Compound NameN-[(Z)-prop-1-enyl]pent-1-en-3-imine
PubChem CID88892313
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-[(Z)-prop-1-enyl]pent-1-en-3-imine
SMILESC=C/C(CC)=N\C=C/C
InChIInChI=1S/C8H13N/c1-4-7-9-8(5-2)6-3/h4-5,7H,2,6H2,1,3H3/b7-4-,9-8+
InChIKeyQSVIJMADMSFKNY-NKUJDFQBSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.56
H-Bond Donors ≤ 50
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 N-[(Z)-prop-1-enyl]pent-1-en-3-imine?
The IUPAC name of N-[(Z)-prop-1-enyl]pent-1-en-3-imine (CID 88892313) is N-[(Z)-prop-1-enyl]pent-1-en-3-imine.
What is the SMILES notation for N-[(Z)-prop-1-enyl]pent-1-en-3-imine?
The canonical SMILES for N-[(Z)-prop-1-enyl]pent-1-en-3-imine is C=C/C(CC)=N\C=C/C.
What is the InChIKey of N-[(Z)-prop-1-enyl]pent-1-en-3-imine?
The InChIKey is QSVIJMADMSFKNY-NKUJDFQBSA-N. The full InChI is InChI=1S/C8H13N/c1-4-7-9-8(5-2)6-3/h4-5,7H,2,6H2,1,3H3/b7-4-,9-8+.
What are the key properties of N-[(Z)-prop-1-enyl]pent-1-en-3-imine?
N-[(Z)-prop-1-enyl]pent-1-en-3-imine has a molecular weight of 123.20 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-prop-1-enyl]pent-1-en-3-imine is sourced from PubChem (CID 88892313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).