5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one

C10H20N2O2 — CID 107530049

IUPAC5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one
SMILESCCC(O)CCNCC1CCC(=O)N1
InChIInChI=1S/C10H20N2O2/c1-2-9(13)5-6-11-7-8-3-4-10(14)12-8/h8-9,11,13H,2-7H2,1H3,(H,12,14)
InChIKeyIQPGCCMCTZDCGP-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.02
Rot. Bonds6

About 5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one

5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one (PubChem CID 107530049) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one
PubChem CID107530049
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one
SMILESCCC(O)CCNCC1CCC(=O)N1
InChIInChI=1S/C10H20N2O2/c1-2-9(13)5-6-11-7-8-3-4-10(14)12-8/h8-9,11,13H,2-7H2,1H3,(H,12,14)
InChIKeyIQPGCCMCTZDCGP-UHFFFAOYSA-N
XLogP0.02
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(hexylamino)methyl]pyrrolidin-2-one
CID 60727785
5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one
CID 60726501
(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
CID 139457807
5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one
CID 104807003
1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea
CID 107529858
1-(cyclohexylmethylamino)pentan-3-ol
CID 115757169
3-[(5-oxopyrrolidin-2-yl)methylamino]propanenitrile
CID 60727673
5-[(2-cyclopropylpropylamino)methyl]pyrrolidin-2-one
CID 107529963
5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one
CID 107529310
5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one
CID 107529437
(5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one
CID 166066315
4-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide
CID 79192403

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one (CID 107530049) is 5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one is CCC(O)CCNCC1CCC(=O)N1.
What is the InChIKey of 5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one?
The InChIKey is IQPGCCMCTZDCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-9(13)5-6-11-7-8-3-4-10(14)12-8/h8-9,11,13H,2-7H2,1H3,(H,12,14).
What are the key properties of 5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one?
5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one has a molecular weight of 200.28 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 107530049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).