(Z)-3-(prop-1-en-2-ylamino)but-2-enal

C7H11NO — CID 134922197

IUPAC(Z)-3-(prop-1-en-2-ylamino)but-2-enal
SMILESC=C(C)N/C(C)=C\C=O
InChIInChI=1S/C7H11NO/c1-6(2)8-7(3)4-5-9/h4-5,8H,1H2,2-3H3/b7-4-
InChIKeyJFIFLXKSZWGXAX-DAXSKMNVSA-N
MW125.17 g/mol
LogP1.21
Rot. Bonds3

About (Z)-3-(prop-1-en-2-ylamino)but-2-enal

(Z)-3-(prop-1-en-2-ylamino)but-2-enal (PubChem CID 134922197) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (Z)-3-(prop-1-en-2-ylamino)but-2-enal.

Molecular Properties

Compound Name(Z)-3-(prop-1-en-2-ylamino)but-2-enal
PubChem CID134922197
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(Z)-3-(prop-1-en-2-ylamino)but-2-enal
SMILESC=C(C)N/C(C)=C\C=O
InChIInChI=1S/C7H11NO/c1-6(2)8-7(3)4-5-9/h4-5,8H,1H2,2-3H3/b7-4-
InChIKeyJFIFLXKSZWGXAX-DAXSKMNVSA-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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Amino-2-butenal
CID 11837505
N-[(Z)-4-oxobut-2-en-2-yl]acetamide
CID 89080117
5-Methyl-4-azahept-5-en-7-one
CID 134693631
(Z)-3-aminobut-2-enal
CID 20850103
3-Aminobut-2-enal
CID 54234844
(E)-3-(ethylamino)but-2-enal
CID 58915947
N-[(E)-4-oxobut-2-en-2-yl]acetamide
CID 89080248
(Z)-3-(methylamino)but-2-enal
CID 144906132
methanamine;(Z)-3-(methylamino)but-2-enal
CID 144906265
(E)-3-(methylamino)but-2-enal
CID 163741659
3-(Butan-2-ylamino)but-2-enal
CID 174853222
3-(Propan-2-ylamino)but-2-enal
CID 16201798

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(prop-1-en-2-ylamino)but-2-enal?
The IUPAC name of (Z)-3-(prop-1-en-2-ylamino)but-2-enal (CID 134922197) is (Z)-3-(prop-1-en-2-ylamino)but-2-enal.
What is the SMILES notation for (Z)-3-(prop-1-en-2-ylamino)but-2-enal?
The canonical SMILES for (Z)-3-(prop-1-en-2-ylamino)but-2-enal is C=C(C)N/C(C)=C\C=O.
What is the InChIKey of (Z)-3-(prop-1-en-2-ylamino)but-2-enal?
The InChIKey is JFIFLXKSZWGXAX-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H11NO/c1-6(2)8-7(3)4-5-9/h4-5,8H,1H2,2-3H3/b7-4-.
What are the key properties of (Z)-3-(prop-1-en-2-ylamino)but-2-enal?
(Z)-3-(prop-1-en-2-ylamino)but-2-enal 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 (Z)-3-(prop-1-en-2-ylamino)but-2-enal is sourced from PubChem (CID 134922197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).