(1E)-1-(1-methylpiperidin-2-ylidene)propan-2-one

C9H15NO — CID 15109302

IUPAC(1E)-1-(1-methylpiperidin-2-ylidene)propan-2-one
SMILESCC(=O)/C=C1\CCCCN1C
InChIInChI=1S/C9H15NO/c1-8(11)7-9-5-3-4-6-10(9)2/h7H,3-6H2,1-2H3/b9-7+
InChIKeyBAULNTCTTZYBGI-VQHVLOKHSA-N
MW153.22 g/mol
LogP1.58
Rot. Bonds1

About (1E)-1-(1-methylpiperidin-2-ylidene)propan-2-one

(1E)-1-(1-methylpiperidin-2-ylidene)propan-2-one (PubChem CID 15109302) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (1E)-1-(1-methylpiperidin-2-ylidene)propan-2-one.

Molecular Properties

Compound Name(1E)-1-(1-methylpiperidin-2-ylidene)propan-2-one
PubChem CID15109302
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(1E)-1-(1-methylpiperidin-2-ylidene)propan-2-one
SMILESCC(=O)/C=C1\CCCCN1C
InChIInChI=1S/C9H15NO/c1-8(11)7-9-5-3-4-6-10(9)2/h7H,3-6H2,1-2H3/b9-7+
InChIKeyBAULNTCTTZYBGI-VQHVLOKHSA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (1E)-1-(1-methylpiperidin-2-ylidene)propan-2-one?
The IUPAC name of (1E)-1-(1-methylpiperidin-2-ylidene)propan-2-one (CID 15109302) is (1E)-1-(1-methylpiperidin-2-ylidene)propan-2-one.
What is the SMILES notation for (1E)-1-(1-methylpiperidin-2-ylidene)propan-2-one?
The canonical SMILES for (1E)-1-(1-methylpiperidin-2-ylidene)propan-2-one is CC(=O)/C=C1\CCCCN1C.
What is the InChIKey of (1E)-1-(1-methylpiperidin-2-ylidene)propan-2-one?
The InChIKey is BAULNTCTTZYBGI-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(11)7-9-5-3-4-6-10(9)2/h7H,3-6H2,1-2H3/b9-7+.
What are the key properties of (1E)-1-(1-methylpiperidin-2-ylidene)propan-2-one?
(1E)-1-(1-methylpiperidin-2-ylidene)propan-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(1-methylpiperidin-2-ylidene)propan-2-one is sourced from PubChem (CID 15109302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).