(Z)-4-(butylamino)pent-3-en-2-one

C9H17NO — CID 10866573

IUPAC(Z)-4-(butylamino)pent-3-en-2-one
SMILESCCCCN/C(C)=C\C(C)=O
InChIInChI=1S/C9H17NO/c1-4-5-6-10-8(2)7-9(3)11/h7,10H,4-6H2,1-3H3/b8-7-
InChIKeyRTMIIQLXVWJCJT-FPLPWBNLSA-N
MW155.24 g/mol
LogP1.87
Rot. Bonds5

About (Z)-4-(butylamino)pent-3-en-2-one

(Z)-4-(butylamino)pent-3-en-2-one (PubChem CID 10866573) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-4-(butylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(butylamino)pent-3-en-2-one
PubChem CID10866573
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(Z)-4-(butylamino)pent-3-en-2-one
SMILESCCCCN/C(C)=C\C(C)=O
InChIInChI=1S/C9H17NO/c1-4-5-6-10-8(2)7-9(3)11/h7,10H,4-6H2,1-3H3/b8-7-
InChIKeyRTMIIQLXVWJCJT-FPLPWBNLSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(butylamino)pent-3-en-2-one?
The IUPAC name of (Z)-4-(butylamino)pent-3-en-2-one (CID 10866573) is (Z)-4-(butylamino)pent-3-en-2-one.
What is the SMILES notation for (Z)-4-(butylamino)pent-3-en-2-one?
The canonical SMILES for (Z)-4-(butylamino)pent-3-en-2-one is CCCCN/C(C)=C\C(C)=O.
What is the InChIKey of (Z)-4-(butylamino)pent-3-en-2-one?
The InChIKey is RTMIIQLXVWJCJT-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-5-6-10-8(2)7-9(3)11/h7,10H,4-6H2,1-3H3/b8-7-.
What are the key properties of (Z)-4-(butylamino)pent-3-en-2-one?
(Z)-4-(butylamino)pent-3-en-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(butylamino)pent-3-en-2-one is sourced from PubChem (CID 10866573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).