(Z)-4-(propan-2-ylamino)pent-3-en-2-one

C8H15NO — CID 11275054

IUPAC(Z)-4-(propan-2-ylamino)pent-3-en-2-one
SMILESCC(=O)/C=C(/C)NC(C)C
InChIInChI=1S/C8H15NO/c1-6(2)9-7(3)5-8(4)10/h5-6,9H,1-4H3/b7-5-
InChIKeySKKSWNSECDCYOD-ALCCZGGFSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds3

About (Z)-4-(propan-2-ylamino)pent-3-en-2-one

(Z)-4-(propan-2-ylamino)pent-3-en-2-one (PubChem CID 11275054) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (Z)-4-(propan-2-ylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(propan-2-ylamino)pent-3-en-2-one
PubChem CID11275054
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(Z)-4-(propan-2-ylamino)pent-3-en-2-one
SMILESCC(=O)/C=C(/C)NC(C)C
InChIInChI=1S/C8H15NO/c1-6(2)9-7(3)5-8(4)10/h5-6,9H,1-4H3/b7-5-
InChIKeySKKSWNSECDCYOD-ALCCZGGFSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
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 (Z)-4-(propan-2-ylamino)pent-3-en-2-one?
The IUPAC name of (Z)-4-(propan-2-ylamino)pent-3-en-2-one (CID 11275054) is (Z)-4-(propan-2-ylamino)pent-3-en-2-one.
What is the SMILES notation for (Z)-4-(propan-2-ylamino)pent-3-en-2-one?
The canonical SMILES for (Z)-4-(propan-2-ylamino)pent-3-en-2-one is CC(=O)/C=C(/C)NC(C)C.
What is the InChIKey of (Z)-4-(propan-2-ylamino)pent-3-en-2-one?
The InChIKey is SKKSWNSECDCYOD-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)9-7(3)5-8(4)10/h5-6,9H,1-4H3/b7-5-.
What are the key properties of (Z)-4-(propan-2-ylamino)pent-3-en-2-one?
(Z)-4-(propan-2-ylamino)pent-3-en-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(propan-2-ylamino)pent-3-en-2-one is sourced from PubChem (CID 11275054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).