N-[3-(2-oxopyrrolidin-1-yl)propyl]oxolane-2-carboxamide

C12H20N2O3 — CID 2971359

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]oxolane-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CCCO1
InChIInChI=1S/C12H20N2O3/c15-11-5-1-7-14(11)8-3-6-13-12(16)10-4-2-9-17-10/h10H,1-9H2,(H,13,16)
InChIKeyBBOSWTFMSXVPIP-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.29
Rot. Bonds5

About N-[3-(2-oxopyrrolidin-1-yl)propyl]oxolane-2-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]oxolane-2-carboxamide (PubChem CID 2971359) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]oxolane-2-carboxamide
PubChem CID2971359
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]oxolane-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CCCO1
InChIInChI=1S/C12H20N2O3/c15-11-5-1-7-14(11)8-3-6-13-12(16)10-4-2-9-17-10/h10H,1-9H2,(H,13,16)
InChIKeyBBOSWTFMSXVPIP-UHFFFAOYSA-N
XLogP0.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]oxolane-2-carboxamide (CID 2971359) is N-[3-(2-oxopyrrolidin-1-yl)propyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]oxolane-2-carboxamide is O=C(NCCCN1CCCC1=O)C1CCCO1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]oxolane-2-carboxamide?
The InChIKey is BBOSWTFMSXVPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11-5-1-7-14(11)8-3-6-13-12(16)10-4-2-9-17-10/h10H,1-9H2,(H,13,16).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]oxolane-2-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]oxolane-2-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]oxolane-2-carboxamide is sourced from PubChem (CID 2971359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).