(E)-4-methyl-1-piperidin-1-ylpent-2-en-1-one

C11H19NO — CID 14248007

IUPAC(E)-4-methyl-1-piperidin-1-ylpent-2-en-1-one
SMILESCC(C)/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C11H19NO/c1-10(2)6-7-11(13)12-8-4-3-5-9-12/h6-7,10H,3-5,8-9H2,1-2H3/b7-6+
InChIKeyDQQHBBZZUIXYGP-VOTSOKGWSA-N
MW181.28 g/mol
LogP2.21
Rot. Bonds2

About (E)-4-methyl-1-piperidin-1-ylpent-2-en-1-one

(E)-4-methyl-1-piperidin-1-ylpent-2-en-1-one (PubChem CID 14248007) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-4-methyl-1-piperidin-1-ylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-4-methyl-1-piperidin-1-ylpent-2-en-1-one
PubChem CID14248007
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(E)-4-methyl-1-piperidin-1-ylpent-2-en-1-one
SMILESCC(C)/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C11H19NO/c1-10(2)6-7-11(13)12-8-4-3-5-9-12/h6-7,10H,3-5,8-9H2,1-2H3/b7-6+
InChIKeyDQQHBBZZUIXYGP-VOTSOKGWSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-1-piperidin-1-ylpent-2-en-1-one?
The IUPAC name of (E)-4-methyl-1-piperidin-1-ylpent-2-en-1-one (CID 14248007) is (E)-4-methyl-1-piperidin-1-ylpent-2-en-1-one.
What is the SMILES notation for (E)-4-methyl-1-piperidin-1-ylpent-2-en-1-one?
The canonical SMILES for (E)-4-methyl-1-piperidin-1-ylpent-2-en-1-one is CC(C)/C=C/C(=O)N1CCCCC1.
What is the InChIKey of (E)-4-methyl-1-piperidin-1-ylpent-2-en-1-one?
The InChIKey is DQQHBBZZUIXYGP-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2)6-7-11(13)12-8-4-3-5-9-12/h6-7,10H,3-5,8-9H2,1-2H3/b7-6+.
What are the key properties of (E)-4-methyl-1-piperidin-1-ylpent-2-en-1-one?
(E)-4-methyl-1-piperidin-1-ylpent-2-en-1-one has a molecular weight of 181.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-1-piperidin-1-ylpent-2-en-1-one is sourced from PubChem (CID 14248007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).