molecular hydrogen;5-piperidin-1-ylpent-1-en-3-one

C10H19NO — CID 144633043

IUPACmolecular hydrogen;5-piperidin-1-ylpent-1-en-3-one
SMILESC=CC(=O)CCN1CCCCC1.[H][H]
InChIInChI=1S/C10H17NO.H2/c1-2-10(12)6-9-11-7-4-3-5-8-11;/h2H,1,3-9H2;1H
InChIKeyNFEBZQSQZQBLAH-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.86
Rot. Bonds4

About molecular hydrogen;5-piperidin-1-ylpent-1-en-3-one

molecular hydrogen;5-piperidin-1-ylpent-1-en-3-one (PubChem CID 144633043) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is molecular hydrogen;5-piperidin-1-ylpent-1-en-3-one.

Molecular Properties

Compound Namemolecular hydrogen;5-piperidin-1-ylpent-1-en-3-one
PubChem CID144633043
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Namemolecular hydrogen;5-piperidin-1-ylpent-1-en-3-one
SMILESC=CC(=O)CCN1CCCCC1.[H][H]
InChIInChI=1S/C10H17NO.H2/c1-2-10(12)6-9-11-7-4-3-5-8-11;/h2H,1,3-9H2;1H
InChIKeyNFEBZQSQZQBLAH-UHFFFAOYSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.86
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 molecular hydrogen;5-piperidin-1-ylpent-1-en-3-one?
The IUPAC name of molecular hydrogen;5-piperidin-1-ylpent-1-en-3-one (CID 144633043) is molecular hydrogen;5-piperidin-1-ylpent-1-en-3-one.
What is the SMILES notation for molecular hydrogen;5-piperidin-1-ylpent-1-en-3-one?
The canonical SMILES for molecular hydrogen;5-piperidin-1-ylpent-1-en-3-one is C=CC(=O)CCN1CCCCC1.[H][H].
What is the InChIKey of molecular hydrogen;5-piperidin-1-ylpent-1-en-3-one?
The InChIKey is NFEBZQSQZQBLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.H2/c1-2-10(12)6-9-11-7-4-3-5-8-11;/h2H,1,3-9H2;1H.
What are the key properties of molecular hydrogen;5-piperidin-1-ylpent-1-en-3-one?
molecular hydrogen;5-piperidin-1-ylpent-1-en-3-one has a molecular weight of 169.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;5-piperidin-1-ylpent-1-en-3-one is sourced from PubChem (CID 144633043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).