(E)-4-[[(E)-prop-1-enyl]amino]but-3-en-2-one

C7H11NO — CID 23404554

IUPAC(E)-4-[[(E)-prop-1-enyl]amino]but-3-en-2-one
SMILESC/C=C/N/C=C/C(C)=O
InChIInChI=1S/C7H11NO/c1-3-5-8-6-4-7(2)9/h3-6,8H,1-2H3/b5-3+,6-4+
InChIKeyMPWXYIQRVODABF-GGWOSOGESA-N
MW125.17 g/mol
LogP1.21
Rot. Bonds3

About (E)-4-[[(E)-prop-1-enyl]amino]but-3-en-2-one

(E)-4-[[(E)-prop-1-enyl]amino]but-3-en-2-one (PubChem CID 23404554) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (E)-4-[[(E)-prop-1-enyl]amino]but-3-en-2-one.

Molecular Properties

Compound Name(E)-4-[[(E)-prop-1-enyl]amino]but-3-en-2-one
PubChem CID23404554
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(E)-4-[[(E)-prop-1-enyl]amino]but-3-en-2-one
SMILESC/C=C/N/C=C/C(C)=O
InChIInChI=1S/C7H11NO/c1-3-5-8-6-4-7(2)9/h3-6,8H,1-2H3/b5-3+,6-4+
InChIKeyMPWXYIQRVODABF-GGWOSOGESA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.21
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

pent-3-en-2-one
CID 12248
ethane;methane;(E)-pent-3-en-2-one
CID 157296022
(E)-hex-3-ene-2,5-dione
CID 5363639
butan-2-one;bis((E)-pent-3-en-2-one);propan-2-one
CID 157357087
N-[(Z)-prop-1-enyl]acetamide
CID 5325885
(3Z)-hepta-3,5-dien-2-one
CID 123850748
(3Z,5E)-hepta-3,5-dien-2-one
CID 12524557
2-chloropenta-1,3-diene;pent-3-en-2-one
CID 163430879
(E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide
CID 141238660
(3E,5Z,7E)-deca-3,5,7-triene-2,9-dione
CID 10749538
N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]acetamide
CID 143215633
(Z)-1-[[(Z)-3-oxohex-1-enyl]amino]hex-1-en-3-one
CID 131852545

Frequently Asked Questions

What is the IUPAC name of (E)-4-[[(E)-prop-1-enyl]amino]but-3-en-2-one?
The IUPAC name of (E)-4-[[(E)-prop-1-enyl]amino]but-3-en-2-one (CID 23404554) is (E)-4-[[(E)-prop-1-enyl]amino]but-3-en-2-one.
What is the SMILES notation for (E)-4-[[(E)-prop-1-enyl]amino]but-3-en-2-one?
The canonical SMILES for (E)-4-[[(E)-prop-1-enyl]amino]but-3-en-2-one is C/C=C/N/C=C/C(C)=O.
What is the InChIKey of (E)-4-[[(E)-prop-1-enyl]amino]but-3-en-2-one?
The InChIKey is MPWXYIQRVODABF-GGWOSOGESA-N. The full InChI is InChI=1S/C7H11NO/c1-3-5-8-6-4-7(2)9/h3-6,8H,1-2H3/b5-3+,6-4+.
What are the key properties of (E)-4-[[(E)-prop-1-enyl]amino]but-3-en-2-one?
(E)-4-[[(E)-prop-1-enyl]amino]but-3-en-2-one has a molecular weight of 125.17 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[[(E)-prop-1-enyl]amino]but-3-en-2-one is sourced from PubChem (CID 23404554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).