1-(cyclopropylmethyl)-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide

C12H18F2N2O3 — CID 103769910

IUPAC1-(cyclopropylmethyl)-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC(O)C(F)F)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C12H18F2N2O3/c13-11(14)9(17)4-15-12(19)8-3-10(18)16(6-8)5-7-1-2-7/h7-9,11,17H,1-6H2,(H,15,19)
InChIKeyBFCKDIHEOQLHMT-UHFFFAOYSA-N
MW276.28 g/mol
LogP-0.01
Rot. Bonds6

About 1-(cyclopropylmethyl)-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide

1-(cyclopropylmethyl)-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 103769910) has the molecular formula C12H18F2N2O3 and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID103769910
Molecular FormulaC12H18F2N2O3
Molecular Weight276.28 g/mol
Exact Mass276.13
IUPAC Name1-(cyclopropylmethyl)-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC(O)C(F)F)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C12H18F2N2O3/c13-11(14)9(17)4-15-12(19)8-3-10(18)16(6-8)5-7-1-2-7/h7-9,11,17H,1-6H2,(H,15,19)
InChIKeyBFCKDIHEOQLHMT-UHFFFAOYSA-N
XLogP-0.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide (CID 103769910) is 1-(cyclopropylmethyl)-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCC(O)C(F)F)C1CC(=O)N(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BFCKDIHEOQLHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O3/c13-11(14)9(17)4-15-12(19)8-3-10(18)16(6-8)5-7-1-2-7/h7-9,11,17H,1-6H2,(H,15,19).
What are the key properties of 1-(cyclopropylmethyl)-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide?
1-(cyclopropylmethyl)-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 276.28 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 103769910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).