3-aminopyrrolidin-2-one

C8H16N4O2 — CID 158709416

IUPAC3-aminopyrrolidin-2-one
SMILESNC1CCNC1=O.NC1CCNC1=O
InChIInChI=1S/2C4H8N2O/c2*5-3-1-2-6-4(3)7/h2*3H,1-2,5H2,(H,6,7)
InChIKeyIINMYDIUHQRPRU-UHFFFAOYSA-N
MW200.24 g/mol
LogP-2.33
Rot. Bonds

About 3-aminopyrrolidin-2-one

3-aminopyrrolidin-2-one (PubChem CID 158709416) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-aminopyrrolidin-2-one.

Molecular Properties

Compound Name3-aminopyrrolidin-2-one
PubChem CID158709416
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name3-aminopyrrolidin-2-one
SMILESNC1CCNC1=O.NC1CCNC1=O
InChIInChI=1S/2C4H8N2O/c2*5-3-1-2-6-4(3)7/h2*3H,1-2,5H2,(H,6,7)
InChIKeyIINMYDIUHQRPRU-UHFFFAOYSA-N
XLogP-2.33
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-2.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(3R,9R)-3,9-diamino-1,7-diazacyclododecane-2,8-dione
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3-aminoazepan-2-one;nickel
CID 88838711
3-(aminomethyl)pyrrolidin-2-one;hydrochloride
CID 77340123
acetic acid;3-aminopiperidin-2-one
CID 139269691
(3S)-3-(cyclopropylmethyl)pyrrolidin-2-one
CID 129360656
6-amino-1,4-diazepan-5-one
CID 55285523
3-(iodomethyl)pyrrolidin-2-one
CID 90057877
3-(2-aminopropyl)pyrrolidin-2-one
CID 82651299
(3R,6R)-3-amino-6-methylazepan-2-one
CID 129453135
3-(3-amino-2-oxopropyl)pyrrolidin-2-one
CID 118532209
3-[(3R)-2-oxopyrrolidin-3-yl]propanamide
CID 167094318
3-aminopiperidine-2,6-dione;hydron;chloride
CID 22455952

Frequently Asked Questions

What is the IUPAC name of 3-aminopyrrolidin-2-one?
The IUPAC name of 3-aminopyrrolidin-2-one (CID 158709416) is 3-aminopyrrolidin-2-one.
What is the SMILES notation for 3-aminopyrrolidin-2-one?
The canonical SMILES for 3-aminopyrrolidin-2-one is NC1CCNC1=O.NC1CCNC1=O.
What is the InChIKey of 3-aminopyrrolidin-2-one?
The InChIKey is IINMYDIUHQRPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8N2O/c2*5-3-1-2-6-4(3)7/h2*3H,1-2,5H2,(H,6,7).
What are the key properties of 3-aminopyrrolidin-2-one?
3-aminopyrrolidin-2-one has a molecular weight of 200.24 g/mol, XLogP of -2.33, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopyrrolidin-2-one is sourced from PubChem (CID 158709416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).