1-(3-aminopyrrolidin-3-yl)propan-2-one

C7H14N2O — CID 115011479

IUPAC1-(3-aminopyrrolidin-3-yl)propan-2-one
SMILESCC(=O)CC1(N)CCNC1
InChIInChI=1S/C7H14N2O/c1-6(10)4-7(8)2-3-9-5-7/h9H,2-5,8H2,1H3
InChIKeyNASNUIXQOXCJSW-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.34
Rot. Bonds2

About 1-(3-aminopyrrolidin-3-yl)propan-2-one

1-(3-aminopyrrolidin-3-yl)propan-2-one (PubChem CID 115011479) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(3-aminopyrrolidin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-aminopyrrolidin-3-yl)propan-2-one
PubChem CID115011479
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-(3-aminopyrrolidin-3-yl)propan-2-one
SMILESCC(=O)CC1(N)CCNC1
InChIInChI=1S/C7H14N2O/c1-6(10)4-7(8)2-3-9-5-7/h9H,2-5,8H2,1H3
InChIKeyNASNUIXQOXCJSW-UHFFFAOYSA-N
XLogP-0.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-aminopyrrolidin-3-yl)acetate
CID 115012363
2-(3-aminopyrrolidin-3-yl)acetamide
CID 83681833
(3-aminopyrrolidin-3-yl)methanol;hydrochloride
CID 129319695
2-(4-aminopiperidin-4-yl)acetic acid
CID 18379201
2-(4-aminopiperidin-4-yl)acetamide
CID 83682139
(3-aminopyrrolidin-3-yl)methanethiol
CID 19382154
2-(4-aminopiperidin-4-yl)acetic acid;hydrochloride
CID 138111407
1-(1-amino-3,3-difluorocyclobutyl)propan-2-one
CID 175327835
1-(3-amino-1-methylazetidin-3-yl)propan-2-one
CID 115011480
1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone
CID 167202953
2-(3-aminopyrrolidin-3-yl)acetonitrile
CID 83681717
1-[3-(2-methylpropyl)pyrrolidin-3-yl]ethanone
CID 176937427

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyrrolidin-3-yl)propan-2-one?
The IUPAC name of 1-(3-aminopyrrolidin-3-yl)propan-2-one (CID 115011479) is 1-(3-aminopyrrolidin-3-yl)propan-2-one.
What is the SMILES notation for 1-(3-aminopyrrolidin-3-yl)propan-2-one?
The canonical SMILES for 1-(3-aminopyrrolidin-3-yl)propan-2-one is CC(=O)CC1(N)CCNC1.
What is the InChIKey of 1-(3-aminopyrrolidin-3-yl)propan-2-one?
The InChIKey is NASNUIXQOXCJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6(10)4-7(8)2-3-9-5-7/h9H,2-5,8H2,1H3.
What are the key properties of 1-(3-aminopyrrolidin-3-yl)propan-2-one?
1-(3-aminopyrrolidin-3-yl)propan-2-one has a molecular weight of 142.20 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyrrolidin-3-yl)propan-2-one is sourced from PubChem (CID 115011479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).