methyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate

C6H11N3O3 — CID 131091908

IUPACmethyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate
SMILESCOC(=O)NC1CN(C)NC1=O
InChIInChI=1S/C6H11N3O3/c1-9-3-4(5(10)8-9)7-6(11)12-2/h4H,3H2,1-2H3,(H,7,11)(H,8,10)
InChIKeyLVTICLMAOXUOML-UHFFFAOYSA-N
MW173.17 g/mol
LogP-1.31
Rot. Bonds1

About methyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate

methyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate (PubChem CID 131091908) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is methyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate
PubChem CID131091908
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Namemethyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate
SMILESCOC(=O)NC1CN(C)NC1=O
InChIInChI=1S/C6H11N3O3/c1-9-3-4(5(10)8-9)7-6(11)12-2/h4H,3H2,1-2H3,(H,7,11)(H,8,10)
InChIKeyLVTICLMAOXUOML-UHFFFAOYSA-N
XLogP-1.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide
CID 130979763
2-(methylamino)-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide
CID 131026035
methyl N-(2,5-dioxopyrrolidin-3-yl)carbamate
CID 110459456
1-methyl-4-(3-methylbutan-2-ylamino)pyrazolidin-3-one
CID 130933775
1-methyl-4-(oxetan-3-ylamino)pyrazolidin-3-one
CID 131165993
2-(4-methoxyphenyl)-N-[(4S)-1-methyl-3-oxopyrazolidin-4-yl]spiro[3.3]heptane-2-carboxamide
CID 129352612
4-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 155962141
1-methyl-4-[(1-methylpyrrolidin-3-yl)amino]pyrazolidin-3-one
CID 130892992
(2S)-3-(1-methyl-3-oxopyrazolidin-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 166466438
4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-1-methylpyrazolidin-3-one
CID 130921644
tert-butyl N-[(3R)-5-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate
CID 59773526
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylate
CID 21201838

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate?
The IUPAC name of methyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate (CID 131091908) is methyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate.
What is the SMILES notation for methyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate?
The canonical SMILES for methyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate is COC(=O)NC1CN(C)NC1=O.
What is the InChIKey of methyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate?
The InChIKey is LVTICLMAOXUOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-9-3-4(5(10)8-9)7-6(11)12-2/h4H,3H2,1-2H3,(H,7,11)(H,8,10).
What are the key properties of methyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate?
methyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate has a molecular weight of 173.17 g/mol, XLogP of -1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate is sourced from PubChem (CID 131091908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).