2-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine

C9H14N2 — CID 143498553

IUPAC2-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine
SMILESC=C1NCCC/C1=N\C=C/C
InChIInChI=1S/C9H14N2/c1-3-6-11-9-5-4-7-10-8(9)2/h3,6,10H,2,4-5,7H2,1H3/b6-3-,11-9+
InChIKeyJJEQEXCTQUKLEJ-WYJUEORESA-N
MW150.22 g/mol
LogP1.86
Rot. Bonds1

About 2-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine

2-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine (PubChem CID 143498553) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine.

Molecular Properties

Compound Name2-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine
PubChem CID143498553
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine
SMILESC=C1NCCC/C1=N\C=C/C
InChIInChI=1S/C9H14N2/c1-3-6-11-9-5-4-7-10-8(9)2/h3,6,10H,2,4-5,7H2,1H3/b6-3-,11-9+
InChIKeyJJEQEXCTQUKLEJ-WYJUEORESA-N
XLogP1.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine?
The IUPAC name of 2-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine (CID 143498553) is 2-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine.
What is the SMILES notation for 2-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine?
The canonical SMILES for 2-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine is C=C1NCCC/C1=N\C=C/C.
What is the InChIKey of 2-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine?
The InChIKey is JJEQEXCTQUKLEJ-WYJUEORESA-N. The full InChI is InChI=1S/C9H14N2/c1-3-6-11-9-5-4-7-10-8(9)2/h3,6,10H,2,4-5,7H2,1H3/b6-3-,11-9+.
What are the key properties of 2-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine?
2-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine has a molecular weight of 150.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine is sourced from PubChem (CID 143498553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).