1-methylpyrrolidin-2-one;urea

C6H13N3O2 — CID 141281161

IUPAC1-methylpyrrolidin-2-one;urea
SMILESCN1CCCC1=O.NC(N)=O
InChIInChI=1S/C5H9NO.CH4N2O/c1-6-4-2-3-5(6)7;2-1(3)4/h2-4H2,1H3;(H4,2,3,4)
InChIKeyMILNSKQUDUFDQP-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.74
Rot. Bonds

About 1-methylpyrrolidin-2-one;urea

1-methylpyrrolidin-2-one;urea (PubChem CID 141281161) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-methylpyrrolidin-2-one;urea.

Molecular Properties

Compound Name1-methylpyrrolidin-2-one;urea
PubChem CID141281161
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name1-methylpyrrolidin-2-one;urea
SMILESCN1CCCC1=O.NC(N)=O
InChIInChI=1S/C5H9NO.CH4N2O/c1-6-4-2-3-5(6)7;2-1(3)4/h2-4H2,1H3;(H4,2,3,4)
InChIKeyMILNSKQUDUFDQP-UHFFFAOYSA-N
XLogP-0.74
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methanethiol;1-methylpyrrolidin-2-one
CID 174894965
ethane-1,2-diamine;1-methylpyrrolidin-2-one
CID 158124150
1-methylpyrrolidin-2-one;oxetane
CID 170438379
methanesulfonic acid;1-methylpyrrolidin-2-one;hydrate
CID 131725232
1-methylpyrrolidin-2-one;propan-1-ol
CID 22151758
1-methylpyrrolidin-2-one;nitric acid
CID 71426471
CID 174856842
CID 174856842
1-methylpiperidine;1-methylpyrrolidin-2-one
CID 18416662
ethane;methane;1-methylpyrrolidine;1-methylpyrrolidin-2-one
CID 161083681
1-methylpyrrolidin-2-one;nickel(2+);dinitrate
CID 175425865
methyl 2-methylprop-2-enoate;1-methylpyrrolidin-2-one
CID 172712369
argon;carbanide;1-methylpiperidin-2-one;yttrium
CID 162062562

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidin-2-one;urea?
The IUPAC name of 1-methylpyrrolidin-2-one;urea (CID 141281161) is 1-methylpyrrolidin-2-one;urea.
What is the SMILES notation for 1-methylpyrrolidin-2-one;urea?
The canonical SMILES for 1-methylpyrrolidin-2-one;urea is CN1CCCC1=O.NC(N)=O.
What is the InChIKey of 1-methylpyrrolidin-2-one;urea?
The InChIKey is MILNSKQUDUFDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.CH4N2O/c1-6-4-2-3-5(6)7;2-1(3)4/h2-4H2,1H3;(H4,2,3,4).
What are the key properties of 1-methylpyrrolidin-2-one;urea?
1-methylpyrrolidin-2-one;urea has a molecular weight of 159.19 g/mol, XLogP of -0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-2-one;urea is sourced from PubChem (CID 141281161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).