3-amino-3-pentyloxolan-2-one

C9H17NO2 — CID 174336669

IUPAC3-amino-3-pentyloxolan-2-one
SMILESCCCCCC1(N)CCOC1=O
InChIInChI=1S/C9H17NO2/c1-2-3-4-5-9(10)6-7-12-8(9)11/h2-7,10H2,1H3
InChIKeyNAOHLEHIGVKGMG-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.21
Rot. Bonds4

About 3-amino-3-pentyloxolan-2-one

3-amino-3-pentyloxolan-2-one (PubChem CID 174336669) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-amino-3-pentyloxolan-2-one.

Molecular Properties

Compound Name3-amino-3-pentyloxolan-2-one
PubChem CID174336669
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-amino-3-pentyloxolan-2-one
SMILESCCCCCC1(N)CCOC1=O
InChIInChI=1S/C9H17NO2/c1-2-3-4-5-9(10)6-7-12-8(9)11/h2-7,10H2,1H3
InChIKeyNAOHLEHIGVKGMG-UHFFFAOYSA-N
XLogP1.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-methyl-3-[10-[(3R)-3-methyl-2-oxooxolan-3-yl]decyl]oxolan-2-one
CID 129405766
1-pentylcyclopropan-1-amine
CID 66023547
(3S)-3-methyl-3-pentyloxiran-2-one
CID 140973351
4-heptyloxan-4-amine
CID 63220508
3-butyl-N-carbamothioyl-2-oxooxolane-3-carboxamide
CID 4038227
(3S)-3-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one
CID 101174339
1,3-dioxolan-2-one;heptane
CID 174901470
1-decylcyclopropan-1-amine
CID 66023987
(3R)-3-methyl-3-pentadecyloxiran-2-one
CID 140973350
2-heptadecyl-2-propan-2-yloxy-1,3-dioxan-5-one
CID 68968818
(3R)-3-ethyl-3-hydroxyoxolan-2-one
CID 100940075
3-(aminomethyl)-3-methyloxolan-2-one
CID 90431319

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-pentyloxolan-2-one?
The IUPAC name of 3-amino-3-pentyloxolan-2-one (CID 174336669) is 3-amino-3-pentyloxolan-2-one.
What is the SMILES notation for 3-amino-3-pentyloxolan-2-one?
The canonical SMILES for 3-amino-3-pentyloxolan-2-one is CCCCCC1(N)CCOC1=O.
What is the InChIKey of 3-amino-3-pentyloxolan-2-one?
The InChIKey is NAOHLEHIGVKGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-4-5-9(10)6-7-12-8(9)11/h2-7,10H2,1H3.
What are the key properties of 3-amino-3-pentyloxolan-2-one?
3-amino-3-pentyloxolan-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-pentyloxolan-2-one is sourced from PubChem (CID 174336669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).