(3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one

C8H16N2O — CID 96680803

IUPAC(3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC[C@H](CN)C1=O
InChIInChI=1S/C8H16N2O/c1-6(2)10-4-3-7(5-9)8(10)11/h6-7H,3-5,9H2,1-2H3/t7-/m1/s1
InChIKeyFZPQZJZFQZCRSM-SSDOTTSWSA-N
MW156.23 g/mol
LogP0.20
Rot. Bonds2

About (3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one

(3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 96680803) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID96680803
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC[C@H](CN)C1=O
InChIInChI=1S/C8H16N2O/c1-6(2)10-4-3-7(5-9)8(10)11/h6-7H,3-5,9H2,1-2H3/t7-/m1/s1
InChIKeyFZPQZJZFQZCRSM-SSDOTTSWSA-N
XLogP0.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one
CID 67806097
1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidin-2-one
CID 67806115
3-fluoro-1-propan-2-ylpyrrolidin-2-one
CID 45088052
1,3-di(propan-2-yl)pyrrolidin-2-one;methane
CID 158114726
3-amino-1-propan-2-ylazepan-2-one
CID 45096497
2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one
CID 155351261
3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one
CID 63925092
4-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 44827665
(3S)-3-ethynyl-1-propan-2-ylpyrrolidin-2-one
CID 175616030
1,3-di(propan-2-yl)azetidin-2-one
CID 166023384
(3S)-3-(aminomethyl)-1-ethylpiperidin-2-one
CID 97000487
(3S)-3-methyl-1-propan-2-ylpiperidin-2-one
CID 129101270

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one (CID 96680803) is (3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CC[C@H](CN)C1=O.
What is the InChIKey of (3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is FZPQZJZFQZCRSM-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(2)10-4-3-7(5-9)8(10)11/h6-7H,3-5,9H2,1-2H3/t7-/m1/s1.
What are the key properties of (3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one?
(3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 96680803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).