1-(propan-2-ylamino)pent-4-en-2-one

C8H15NO — CID 116554798

IUPAC1-(propan-2-ylamino)pent-4-en-2-one
SMILESC=CCC(=O)CNC(C)C
InChIInChI=1S/C8H15NO/c1-4-5-8(10)6-9-7(2)3/h4,7,9H,1,5-6H2,2-3H3
InChIKeyRIZZOMJUMISVPW-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.13
Rot. Bonds5

About 1-(propan-2-ylamino)pent-4-en-2-one

1-(propan-2-ylamino)pent-4-en-2-one (PubChem CID 116554798) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(propan-2-ylamino)pent-4-en-2-one.

Molecular Properties

Compound Name1-(propan-2-ylamino)pent-4-en-2-one
PubChem CID116554798
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(propan-2-ylamino)pent-4-en-2-one
SMILESC=CCC(=O)CNC(C)C
InChIInChI=1S/C8H15NO/c1-4-5-8(10)6-9-7(2)3/h4,7,9H,1,5-6H2,2-3H3
InChIKeyRIZZOMJUMISVPW-UHFFFAOYSA-N
XLogP1.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)pent-4-en-2-one?
The IUPAC name of 1-(propan-2-ylamino)pent-4-en-2-one (CID 116554798) is 1-(propan-2-ylamino)pent-4-en-2-one.
What is the SMILES notation for 1-(propan-2-ylamino)pent-4-en-2-one?
The canonical SMILES for 1-(propan-2-ylamino)pent-4-en-2-one is C=CCC(=O)CNC(C)C.
What is the InChIKey of 1-(propan-2-ylamino)pent-4-en-2-one?
The InChIKey is RIZZOMJUMISVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-8(10)6-9-7(2)3/h4,7,9H,1,5-6H2,2-3H3.
What are the key properties of 1-(propan-2-ylamino)pent-4-en-2-one?
1-(propan-2-ylamino)pent-4-en-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)pent-4-en-2-one is sourced from PubChem (CID 116554798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).