(3S)-3-(cyclopropylmethyl)pyrrolidin-2-one

C8H13NO — CID 129360656

IUPAC(3S)-3-(cyclopropylmethyl)pyrrolidin-2-one
SMILESO=C1NCC[C@@H]1CC1CC1
InChIInChI=1S/C8H13NO/c10-8-7(3-4-9-8)5-6-1-2-6/h6-7H,1-5H2,(H,9,10)/t7-/m1/s1
InChIKeyAKKDGRKHDGZCRN-SSDOTTSWSA-N
MW139.20 g/mol
LogP0.92
Rot. Bonds2

About (3S)-3-(cyclopropylmethyl)pyrrolidin-2-one

(3S)-3-(cyclopropylmethyl)pyrrolidin-2-one (PubChem CID 129360656) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3S)-3-(cyclopropylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-(cyclopropylmethyl)pyrrolidin-2-one
PubChem CID129360656
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3S)-3-(cyclopropylmethyl)pyrrolidin-2-one
SMILESO=C1NCC[C@@H]1CC1CC1
InChIInChI=1S/C8H13NO/c10-8-7(3-4-9-8)5-6-1-2-6/h6-7H,1-5H2,(H,9,10)/t7-/m1/s1
InChIKeyAKKDGRKHDGZCRN-SSDOTTSWSA-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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Related Compounds

3-(cyclohexylmethyl)piperidin-2-one
CID 104679133
3-[(4-hydroxycyclohexyl)methyl]piperidin-2-one
CID 165460765
3-(iodomethyl)pyrrolidin-2-one
CID 90057877
3-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 130599733
3-(aminomethyl)pyrrolidin-2-one;hydrochloride
CID 77340123
3-aminopyrrolidin-2-one
CID 158709416
3-(2-oxopyrrolidin-3-yl)propanal
CID 19979689
3-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-one
CID 116525765
3-(2-aminopropyl)pyrrolidin-2-one
CID 82651299
3-(5-hydroxypentyl)pyrrolidin-2-one
CID 104679269
3-(3-amino-2-oxopropyl)pyrrolidin-2-one
CID 118532209
3-[(3R)-2-oxopyrrolidin-3-yl]propanamide
CID 167094318

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(cyclopropylmethyl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-(cyclopropylmethyl)pyrrolidin-2-one (CID 129360656) is (3S)-3-(cyclopropylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-(cyclopropylmethyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-(cyclopropylmethyl)pyrrolidin-2-one is O=C1NCC[C@@H]1CC1CC1.
What is the InChIKey of (3S)-3-(cyclopropylmethyl)pyrrolidin-2-one?
The InChIKey is AKKDGRKHDGZCRN-SSDOTTSWSA-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)/t7-/m1/s1.
What are the key properties of (3S)-3-(cyclopropylmethyl)pyrrolidin-2-one?
(3S)-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 (3S)-3-(cyclopropylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 129360656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).