1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one

C9H18N2O — CID 81469401

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C9H18N2O/c1-2-3-4-9(12)11-6-5-8(10)7-11/h8H,2-7,10H2,1H3/t8-/m1/s1
InChIKeyVJFKCYRRZGHICO-MRVPVSSYSA-N
MW170.26 g/mol
LogP0.74
Rot. Bonds3

About 1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one

1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one (PubChem CID 81469401) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one
PubChem CID81469401
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C9H18N2O/c1-2-3-4-9(12)11-6-5-8(10)7-11/h8H,2-7,10H2,1H3/t8-/m1/s1
InChIKeyVJFKCYRRZGHICO-MRVPVSSYSA-N
XLogP0.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminopyrrolidin-1-yl)dodecan-1-one
CID 65428474
1-[(3R)-3-aminopyrrolidin-1-yl]-3-butylsulfanylpropan-1-one
CID 119413529
1-[3-(bromomethyl)pyrrolidin-1-yl]pentan-1-one
CID 80668318
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656
1-(3-methylpyrrolidin-1-yl)pentan-1-one
CID 68735226
1-[(3R)-3-aminopyrrolidin-1-yl]-4-methylsulfanylbutan-1-one
CID 119413509
5-[(3R)-3-aminopyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride
CID 119412942
1-[(3R)-3-aminopyrrolidin-1-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 119413508
1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 62371123
1-(3-aminopyrrolidin-1-yl)-3-methylsulfonylpropan-1-one
CID 62068727
1-(3-ethyl-4-hydroxypiperidin-1-yl)pentan-1-one
CID 114509873
1-(4-amino-3-methylpiperidin-1-yl)octan-1-one
CID 79880598

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one (CID 81469401) is 1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one is CCCCC(=O)N1CC[C@@H](N)C1.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one?
The InChIKey is VJFKCYRRZGHICO-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-3-4-9(12)11-6-5-8(10)7-11/h8H,2-7,10H2,1H3/t8-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one?
1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one has a molecular weight of 170.26 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one is sourced from PubChem (CID 81469401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).