(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one

C8H13NO2 — CID 42259346

IUPAC(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1C[C@H](CO)CN1C1CC1
InChIInChI=1S/C8H13NO2/c10-5-6-3-8(11)9(4-6)7-1-2-7/h6-7,10H,1-5H2/t6-/m0/s1
InChIKeyKIINMCIJESQIGC-LURJTMIESA-N
MW155.20 g/mol
LogP-0.01
Rot. Bonds2

About (4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one

(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 42259346) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID42259346
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1C[C@H](CO)CN1C1CC1
InChIInChI=1S/C8H13NO2/c10-5-6-3-8(11)9(4-6)7-1-2-7/h6-7,10H,1-5H2/t6-/m0/s1
InChIKeyKIINMCIJESQIGC-LURJTMIESA-N
XLogP-0.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one (CID 42259346) is (4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one is O=C1C[C@H](CO)CN1C1CC1.
What is the InChIKey of (4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is KIINMCIJESQIGC-LURJTMIESA-N. The full InChI is InChI=1S/C8H13NO2/c10-5-6-3-8(11)9(4-6)7-1-2-7/h6-7,10H,1-5H2/t6-/m0/s1.
What are the key properties of (4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one?
(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 42259346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).