(E)-1-(propylamino)pent-3-en-2-one

C8H15NO — CID 130176431

IUPAC(E)-1-(propylamino)pent-3-en-2-one
SMILESC/C=C/C(=O)CNCCC
InChIInChI=1S/C8H15NO/c1-3-5-8(10)7-9-6-4-2/h3,5,9H,4,6-7H2,1-2H3/b5-3+
InChIKeySGSZTLKAJACKQA-HWKANZROSA-N
MW141.21 g/mol
LogP1.13
Rot. Bonds5

About (E)-1-(propylamino)pent-3-en-2-one

(E)-1-(propylamino)pent-3-en-2-one (PubChem CID 130176431) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (E)-1-(propylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-1-(propylamino)pent-3-en-2-one
PubChem CID130176431
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(E)-1-(propylamino)pent-3-en-2-one
SMILESC/C=C/C(=O)CNCCC
InChIInChI=1S/C8H15NO/c1-3-5-8(10)7-9-6-4-2/h3,5,9H,4,6-7H2,1-2H3/b5-3+
InChIKeySGSZTLKAJACKQA-HWKANZROSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(butylamino)pent-3-en-2-one;nickel
CID 161234622
1-(methylamino)pent-3-en-2-one;xenon;hydrofluoride
CID 172819969
2-(propylamino)acetamide
CID 15839438
N-methyl-2-(propylamino)acetamide
CID 28586328
oct-6-ene-3,5-dione
CID 54438744
N,N-diethyl-2-(propylamino)acetamide
CID 15103931
tridec-2-en-4-one
CID 3025768
(E)-undec-2-en-4-one
CID 11550066
undec-2-en-4-one
CID 54475106
N-prop-2-enyl-2-(propylamino)acetamide
CID 54819030
1-(methylaminomethylamino)hex-3-ene-2,5-dione
CID 58843321
N-propan-2-yl-2-(propylamino)acetamide
CID 28586282

Frequently Asked Questions

What is the IUPAC name of (E)-1-(propylamino)pent-3-en-2-one?
The IUPAC name of (E)-1-(propylamino)pent-3-en-2-one (CID 130176431) is (E)-1-(propylamino)pent-3-en-2-one.
What is the SMILES notation for (E)-1-(propylamino)pent-3-en-2-one?
The canonical SMILES for (E)-1-(propylamino)pent-3-en-2-one is C/C=C/C(=O)CNCCC.
What is the InChIKey of (E)-1-(propylamino)pent-3-en-2-one?
The InChIKey is SGSZTLKAJACKQA-HWKANZROSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-5-8(10)7-9-6-4-2/h3,5,9H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of (E)-1-(propylamino)pent-3-en-2-one?
(E)-1-(propylamino)pent-3-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 (E)-1-(propylamino)pent-3-en-2-one is sourced from PubChem (CID 130176431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).