3-(cyclopropylmethyl)pyrrolidin-2-one

C8H13NO — CID 53417265

IUPAC3-(cyclopropylmethyl)pyrrolidin-2-one
SMILESO=C1NCCC1CC1CC1
InChIInChI=1S/C8H13NO/c10-8-7(3-4-9-8)5-6-1-2-6/h6-7H,1-5H2,(H,9,10)
InChIKeyAKKDGRKHDGZCRN-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.92
Rot. Bonds2

About 3-(cyclopropylmethyl)pyrrolidin-2-one

3-(cyclopropylmethyl)pyrrolidin-2-one (PubChem CID 53417265) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)pyrrolidin-2-one
PubChem CID53417265
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-(cyclopropylmethyl)pyrrolidin-2-one
SMILESO=C1NCCC1CC1CC1
InChIInChI=1S/C8H13NO/c10-8-7(3-4-9-8)5-6-1-2-6/h6-7H,1-5H2,(H,9,10)
InChIKeyAKKDGRKHDGZCRN-UHFFFAOYSA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)pyrrolidin-2-one?
The IUPAC name of 3-(cyclopropylmethyl)pyrrolidin-2-one (CID 53417265) is 3-(cyclopropylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(cyclopropylmethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(cyclopropylmethyl)pyrrolidin-2-one is O=C1NCCC1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)pyrrolidin-2-one?
The InChIKey is AKKDGRKHDGZCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c10-8-7(3-4-9-8)5-6-1-2-6/h6-7H,1-5H2,(H,9,10).
What are the key properties of 3-(cyclopropylmethyl)pyrrolidin-2-one?
3-(cyclopropylmethyl)pyrrolidin-2-one has a molecular weight of 139.20 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 53417265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).