2-methyl-2-[2-(3-oxoprop-1-en-2-yl)hydrazinyl]propanal

C7H12N2O2 — CID 89381268

IUPAC2-methyl-2-[2-(3-oxoprop-1-en-2-yl)hydrazinyl]propanal
SMILESC=C(C=O)NNC(C)(C)C=O
InChIInChI=1S/C7H12N2O2/c1-6(4-10)8-9-7(2,3)5-11/h4-5,8-9H,1H2,2-3H3
InChIKeyVNRAFAWDLUDBTR-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.23
Rot. Bonds5

About 2-methyl-2-[2-(3-oxoprop-1-en-2-yl)hydrazinyl]propanal

2-methyl-2-[2-(3-oxoprop-1-en-2-yl)hydrazinyl]propanal (PubChem CID 89381268) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-methyl-2-[2-(3-oxoprop-1-en-2-yl)hydrazinyl]propanal.

Molecular Properties

Compound Name2-methyl-2-[2-(3-oxoprop-1-en-2-yl)hydrazinyl]propanal
PubChem CID89381268
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name2-methyl-2-[2-(3-oxoprop-1-en-2-yl)hydrazinyl]propanal
SMILESC=C(C=O)NNC(C)(C)C=O
InChIInChI=1S/C7H12N2O2/c1-6(4-10)8-9-7(2,3)5-11/h4-5,8-9H,1H2,2-3H3
InChIKeyVNRAFAWDLUDBTR-UHFFFAOYSA-N
XLogP-0.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(prop-1-en-2-ylamino)prop-2-enal
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CID 167245652
2-methyl(113C)prop-2-enal
CID 71749931
benzene;2-methylprop-2-enal
CID 87152273
2-(2-methylpropylamino)prop-2-enal
CID 87965077
[[(2R)-2-amino-1-oxopropan-2-yl]amino]urea
CID 57321142
2-tert-butyl-2,3,3-trimethylbutanal
CID 20714170
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-oxoprop-1-en-2-yl)carbamate
CID 141268386
2-[(5-methyl-2-pyridinyl)amino]prop-2-enal
CID 144725404
3,5-dichloro-N-(2-methyl-1-oxopropan-2-yl)benzamide
CID 175166740
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CID 174644561

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(3-oxoprop-1-en-2-yl)hydrazinyl]propanal?
The IUPAC name of 2-methyl-2-[2-(3-oxoprop-1-en-2-yl)hydrazinyl]propanal (CID 89381268) is 2-methyl-2-[2-(3-oxoprop-1-en-2-yl)hydrazinyl]propanal.
What is the SMILES notation for 2-methyl-2-[2-(3-oxoprop-1-en-2-yl)hydrazinyl]propanal?
The canonical SMILES for 2-methyl-2-[2-(3-oxoprop-1-en-2-yl)hydrazinyl]propanal is C=C(C=O)NNC(C)(C)C=O.
What is the InChIKey of 2-methyl-2-[2-(3-oxoprop-1-en-2-yl)hydrazinyl]propanal?
The InChIKey is VNRAFAWDLUDBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-6(4-10)8-9-7(2,3)5-11/h4-5,8-9H,1H2,2-3H3.
What are the key properties of 2-methyl-2-[2-(3-oxoprop-1-en-2-yl)hydrazinyl]propanal?
2-methyl-2-[2-(3-oxoprop-1-en-2-yl)hydrazinyl]propanal has a molecular weight of 156.18 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(3-oxoprop-1-en-2-yl)hydrazinyl]propanal is sourced from PubChem (CID 89381268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).