2-(3-cyclopropyl-3-methyl-5-oxopyrazolidin-1-yl)acetaldehyde

C9H14N2O2 — CID 105440082

IUPAC2-(3-cyclopropyl-3-methyl-5-oxopyrazolidin-1-yl)acetaldehyde
SMILESCC1(C2CC2)CC(=O)N(CC=O)N1
InChIInChI=1S/C9H14N2O2/c1-9(7-2-3-7)6-8(13)11(10-9)4-5-12/h5,7,10H,2-4,6H2,1H3
InChIKeyAGGRBBXKTBFBQL-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.09
Rot. Bonds3

About 2-(3-cyclopropyl-3-methyl-5-oxopyrazolidin-1-yl)acetaldehyde

2-(3-cyclopropyl-3-methyl-5-oxopyrazolidin-1-yl)acetaldehyde (PubChem CID 105440082) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(3-cyclopropyl-3-methyl-5-oxopyrazolidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-cyclopropyl-3-methyl-5-oxopyrazolidin-1-yl)acetaldehyde
PubChem CID105440082
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(3-cyclopropyl-3-methyl-5-oxopyrazolidin-1-yl)acetaldehyde
SMILESCC1(C2CC2)CC(=O)N(CC=O)N1
InChIInChI=1S/C9H14N2O2/c1-9(7-2-3-7)6-8(13)11(10-9)4-5-12/h5,7,10H,2-4,6H2,1H3
InChIKeyAGGRBBXKTBFBQL-UHFFFAOYSA-N
XLogP0.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(3-oxo-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde
CID 105450018
2-(5-cyclopentyl-5-methyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde
CID 105465008
3-(5-cyclopropyl-5-methyl-3-oxo-1,2-oxazolidin-2-yl)propanal
CID 105450641
2-(2-aminoethyl)-5-tert-butyl-5-methylpyrazolidin-3-one
CID 105452385
4-cyclopropyl-4-methylimidazolidin-2-one
CID 105428121
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetaldehyde
CID 62025356
5-tert-butyl-5-methyl-2-(2-oxopropyl)pyrazolidin-3-one
CID 105466148
6-cyclopropyl-6-methyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
CID 107902417
1-[(E)-but-2-enyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
CID 107898411
(4S)-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one
CID 124509752
2-cyclopropyl-2-methylaziridine
CID 149208291
2-(2-aminopropyl)-5,5-dimethylpyrazolidin-3-one
CID 105434817

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-3-methyl-5-oxopyrazolidin-1-yl)acetaldehyde?
The IUPAC name of 2-(3-cyclopropyl-3-methyl-5-oxopyrazolidin-1-yl)acetaldehyde (CID 105440082) is 2-(3-cyclopropyl-3-methyl-5-oxopyrazolidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(3-cyclopropyl-3-methyl-5-oxopyrazolidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(3-cyclopropyl-3-methyl-5-oxopyrazolidin-1-yl)acetaldehyde is CC1(C2CC2)CC(=O)N(CC=O)N1.
What is the InChIKey of 2-(3-cyclopropyl-3-methyl-5-oxopyrazolidin-1-yl)acetaldehyde?
The InChIKey is AGGRBBXKTBFBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(7-2-3-7)6-8(13)11(10-9)4-5-12/h5,7,10H,2-4,6H2,1H3.
What are the key properties of 2-(3-cyclopropyl-3-methyl-5-oxopyrazolidin-1-yl)acetaldehyde?
2-(3-cyclopropyl-3-methyl-5-oxopyrazolidin-1-yl)acetaldehyde has a molecular weight of 182.22 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-3-methyl-5-oxopyrazolidin-1-yl)acetaldehyde is sourced from PubChem (CID 105440082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).