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

C8H15NO — CID 12609387

IUPAC(Z)-4-(propylamino)pent-3-en-2-one
SMILESCCCN/C(C)=C\C(C)=O
InChIInChI=1S/C8H15NO/c1-4-5-9-7(2)6-8(3)10/h6,9H,4-5H2,1-3H3/b7-6-
InChIKeyJGNOHDJJUHWGBD-SREVYHEPSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds4

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

(Z)-4-(propylamino)pent-3-en-2-one (PubChem CID 12609387) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (Z)-4-(propylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(propylamino)pent-3-en-2-one
PubChem CID12609387
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(Z)-4-(propylamino)pent-3-en-2-one
SMILESCCCN/C(C)=C\C(C)=O
InChIInChI=1S/C8H15NO/c1-4-5-9-7(2)6-8(3)10/h6,9H,4-5H2,1-3H3/b7-6-
InChIKeyJGNOHDJJUHWGBD-SREVYHEPSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

2,6-Dimethyl-4-pyridinol
CID 83609
3-Penten-2-one, 4,4'-(1,2-ethanediyldiimino)bis-, (3Z,3'Z)-
CID 5462863
2,5-Bis(propylamino)cyclohexa-2,5-diene-1,4-dione
CID 2262761
2,5-Bis(ethylamino)cyclohexa-2,5-diene-1,4-dione
CID 21238366
2-Acetylpyrroline
CID 6429016
(Z)-4-(methylamino)pent-3-en-2-one
CID 5379102
(3Z)-4-[(propan-2-yl)amino]pent-3-en-2-one
CID 11275054
4-Ethylaminopent-3-EN-2-one
CID 11804773
(Z)-4-Isobutylamino-pent-3-en-2-one
CID 12595741
2-(Propan-2-yl)pyridin-4-ol
CID 21064612
(E)-4-[2-[[(E)-4-oxopent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one
CID 5715222
(z)-4-Allylamino-1,1,1-trifluoro-3-penten-2-one
CID 129706884

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(propylamino)pent-3-en-2-one?
The IUPAC name of (Z)-4-(propylamino)pent-3-en-2-one (CID 12609387) is (Z)-4-(propylamino)pent-3-en-2-one.
What is the SMILES notation for (Z)-4-(propylamino)pent-3-en-2-one?
The canonical SMILES for (Z)-4-(propylamino)pent-3-en-2-one is CCCN/C(C)=C\C(C)=O.
What is the InChIKey of (Z)-4-(propylamino)pent-3-en-2-one?
The InChIKey is JGNOHDJJUHWGBD-SREVYHEPSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-9-7(2)6-8(3)10/h6,9H,4-5H2,1-3H3/b7-6-.
What are the key properties of (Z)-4-(propylamino)pent-3-en-2-one?
(Z)-4-(propylamino)pent-3-en-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(propylamino)pent-3-en-2-one is sourced from PubChem (CID 12609387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).