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

C9H15N — CID 137470078

IUPAC4-methyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
SMILESC=C/C(=N\C=C/C)C(C)C
InChIInChI=1S/C9H15N/c1-5-7-10-9(6-2)8(3)4/h5-8H,2H2,1,3-4H3/b7-5-,10-9+
InChIKeyQXJFCZDNPHGYNI-ROBNAOGRSA-N
MW137.23 g/mol
LogP2.80
Rot. Bonds3

About 4-methyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine

4-methyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine (PubChem CID 137470078) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine.

Molecular Properties

Compound Name4-methyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
PubChem CID137470078
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4-methyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
SMILESC=C/C(=N\C=C/C)C(C)C
InChIInChI=1S/C9H15N/c1-5-7-10-9(6-2)8(3)4/h5-8H,2H2,1,3-4H3/b7-5-,10-9+
InChIKeyQXJFCZDNPHGYNI-ROBNAOGRSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.80
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 4-methyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine?
The IUPAC name of 4-methyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine (CID 137470078) is 4-methyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine.
What is the SMILES notation for 4-methyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine?
The canonical SMILES for 4-methyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine is C=C/C(=N\C=C/C)C(C)C.
What is the InChIKey of 4-methyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine?
The InChIKey is QXJFCZDNPHGYNI-ROBNAOGRSA-N. The full InChI is InChI=1S/C9H15N/c1-5-7-10-9(6-2)8(3)4/h5-8H,2H2,1,3-4H3/b7-5-,10-9+.
What are the key properties of 4-methyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine?
4-methyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine has a molecular weight of 137.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine is sourced from PubChem (CID 137470078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).