1-cyclopropyl-4-(1-cyclopropylpropan-2-ylamino)pyrrolidin-2-one

C13H22N2O — CID 115892571

IUPAC1-cyclopropyl-4-(1-cyclopropylpropan-2-ylamino)pyrrolidin-2-one
SMILESCC(CC1CC1)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C13H22N2O/c1-9(6-10-2-3-10)14-11-7-13(16)15(8-11)12-4-5-12/h9-12,14H,2-8H2,1H3
InChIKeyAXEBPGBGOKMKJA-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.53
Rot. Bonds5

About 1-cyclopropyl-4-(1-cyclopropylpropan-2-ylamino)pyrrolidin-2-one

1-cyclopropyl-4-(1-cyclopropylpropan-2-ylamino)pyrrolidin-2-one (PubChem CID 115892571) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-cyclopropyl-4-(1-cyclopropylpropan-2-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-(1-cyclopropylpropan-2-ylamino)pyrrolidin-2-one
PubChem CID115892571
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-cyclopropyl-4-(1-cyclopropylpropan-2-ylamino)pyrrolidin-2-one
SMILESCC(CC1CC1)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C13H22N2O/c1-9(6-10-2-3-10)14-11-7-13(16)15(8-11)12-4-5-12/h9-12,14H,2-8H2,1H3
InChIKeyAXEBPGBGOKMKJA-UHFFFAOYSA-N
XLogP1.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(1-cyclopropylpropan-2-ylamino)pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-(1-cyclopropylpropan-2-ylamino)pyrrolidin-2-one (CID 115892571) is 1-cyclopropyl-4-(1-cyclopropylpropan-2-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-(1-cyclopropylpropan-2-ylamino)pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-(1-cyclopropylpropan-2-ylamino)pyrrolidin-2-one is CC(CC1CC1)NC1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-4-(1-cyclopropylpropan-2-ylamino)pyrrolidin-2-one?
The InChIKey is AXEBPGBGOKMKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(6-10-2-3-10)14-11-7-13(16)15(8-11)12-4-5-12/h9-12,14H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-4-(1-cyclopropylpropan-2-ylamino)pyrrolidin-2-one?
1-cyclopropyl-4-(1-cyclopropylpropan-2-ylamino)pyrrolidin-2-one has a molecular weight of 222.33 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(1-cyclopropylpropan-2-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 115892571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).