3-methylidene-4-prop-2-enylidenepiperidine

C9H13N — CID 72652534

IUPAC3-methylidene-4-prop-2-enylidenepiperidine
SMILESC=CC=C1CCNCC1=C
InChIInChI=1S/C9H13N/c1-3-4-9-5-6-10-7-8(9)2/h3-4,10H,1-2,5-7H2
InChIKeyYLPYJHKQXDTYQR-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.65
Rot. Bonds1

About 3-methylidene-4-prop-2-enylidenepiperidine

3-methylidene-4-prop-2-enylidenepiperidine (PubChem CID 72652534) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 3-methylidene-4-prop-2-enylidenepiperidine.

Molecular Properties

Compound Name3-methylidene-4-prop-2-enylidenepiperidine
PubChem CID72652534
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name3-methylidene-4-prop-2-enylidenepiperidine
SMILESC=CC=C1CCNCC1=C
InChIInChI=1S/C9H13N/c1-3-4-9-5-6-10-7-8(9)2/h3-4,10H,1-2,5-7H2
InChIKeyYLPYJHKQXDTYQR-UHFFFAOYSA-N
XLogP1.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-4-prop-2-enylidenepiperidine?
The IUPAC name of 3-methylidene-4-prop-2-enylidenepiperidine (CID 72652534) is 3-methylidene-4-prop-2-enylidenepiperidine.
What is the SMILES notation for 3-methylidene-4-prop-2-enylidenepiperidine?
The canonical SMILES for 3-methylidene-4-prop-2-enylidenepiperidine is C=CC=C1CCNCC1=C.
What is the InChIKey of 3-methylidene-4-prop-2-enylidenepiperidine?
The InChIKey is YLPYJHKQXDTYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-4-9-5-6-10-7-8(9)2/h3-4,10H,1-2,5-7H2.
What are the key properties of 3-methylidene-4-prop-2-enylidenepiperidine?
3-methylidene-4-prop-2-enylidenepiperidine has a molecular weight of 135.21 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-4-prop-2-enylidenepiperidine is sourced from PubChem (CID 72652534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).