(5-ethenyl-2-oxopyrrolidin-3-yl)carbamic acid

C7H10N2O3 — CID 67915212

IUPAC(5-ethenyl-2-oxopyrrolidin-3-yl)carbamic acid
SMILESC=CC1CC(NC(=O)O)C(=O)N1
InChIInChI=1S/C7H10N2O3/c1-2-4-3-5(6(10)8-4)9-7(11)12/h2,4-5,9H,1,3H2,(H,8,10)(H,11,12)
InChIKeyBLMVZOTXLQHHFU-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.30
Rot. Bonds2

About (5-ethenyl-2-oxopyrrolidin-3-yl)carbamic acid

(5-ethenyl-2-oxopyrrolidin-3-yl)carbamic acid (PubChem CID 67915212) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is (5-ethenyl-2-oxopyrrolidin-3-yl)carbamic acid.

Molecular Properties

Compound Name(5-ethenyl-2-oxopyrrolidin-3-yl)carbamic acid
PubChem CID67915212
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name(5-ethenyl-2-oxopyrrolidin-3-yl)carbamic acid
SMILESC=CC1CC(NC(=O)O)C(=O)N1
InChIInChI=1S/C7H10N2O3/c1-2-4-3-5(6(10)8-4)9-7(11)12/h2,4-5,9H,1,3H2,(H,8,10)(H,11,12)
InChIKeyBLMVZOTXLQHHFU-UHFFFAOYSA-N
XLogP-0.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-ethenyl-2-oxopyrrolidin-3-yl)carbamic acid?
The IUPAC name of (5-ethenyl-2-oxopyrrolidin-3-yl)carbamic acid (CID 67915212) is (5-ethenyl-2-oxopyrrolidin-3-yl)carbamic acid.
What is the SMILES notation for (5-ethenyl-2-oxopyrrolidin-3-yl)carbamic acid?
The canonical SMILES for (5-ethenyl-2-oxopyrrolidin-3-yl)carbamic acid is C=CC1CC(NC(=O)O)C(=O)N1.
What is the InChIKey of (5-ethenyl-2-oxopyrrolidin-3-yl)carbamic acid?
The InChIKey is BLMVZOTXLQHHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-2-4-3-5(6(10)8-4)9-7(11)12/h2,4-5,9H,1,3H2,(H,8,10)(H,11,12).
What are the key properties of (5-ethenyl-2-oxopyrrolidin-3-yl)carbamic acid?
(5-ethenyl-2-oxopyrrolidin-3-yl)carbamic acid has a molecular weight of 170.17 g/mol, XLogP of -0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethenyl-2-oxopyrrolidin-3-yl)carbamic acid is sourced from PubChem (CID 67915212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).