4-imino-1-pyrrolidin-1-ylbutan-1-one

C8H14N2O — CID 153401077

IUPAC4-imino-1-pyrrolidin-1-ylbutan-1-one
SMILES[H]/N=C/CCC(=O)N1CCCC1
InChIInChI=1S/C8H14N2O/c9-5-3-4-8(11)10-6-1-2-7-10/h5,9H,1-4,6-7H2/b9-5+
InChIKeyKNZPJZMJLADFTG-WEVVVXLNSA-N
MW154.21 g/mol
LogP1.04
Rot. Bonds3

About 4-imino-1-pyrrolidin-1-ylbutan-1-one

4-imino-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 153401077) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-imino-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-imino-1-pyrrolidin-1-ylbutan-1-one
PubChem CID153401077
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-imino-1-pyrrolidin-1-ylbutan-1-one
SMILES[H]/N=C/CCC(=O)N1CCCC1
InChIInChI=1S/C8H14N2O/c9-5-3-4-8(11)10-6-1-2-7-10/h5,9H,1-4,6-7H2/b9-5+
InChIKeyKNZPJZMJLADFTG-WEVVVXLNSA-N
XLogP1.04
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.04
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 4-imino-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 4-imino-1-pyrrolidin-1-ylbutan-1-one (CID 153401077) is 4-imino-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 4-imino-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 4-imino-1-pyrrolidin-1-ylbutan-1-one is [H]/N=C/CCC(=O)N1CCCC1.
What is the InChIKey of 4-imino-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is KNZPJZMJLADFTG-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H14N2O/c9-5-3-4-8(11)10-6-1-2-7-10/h5,9H,1-4,6-7H2/b9-5+.
What are the key properties of 4-imino-1-pyrrolidin-1-ylbutan-1-one?
4-imino-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 153401077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).