2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one

C11H21NO2 — CID 116587663

IUPAC2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one
SMILESCCCNC1COCC1C(=O)C(C)C
InChIInChI=1S/C11H21NO2/c1-4-5-12-10-7-14-6-9(10)11(13)8(2)3/h8-10,12H,4-7H2,1-3H3
InChIKeyGWOYVXSIGRCZDS-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.23
Rot. Bonds5

About 2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one

2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one (PubChem CID 116587663) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one
PubChem CID116587663
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one
SMILESCCCNC1COCC1C(=O)C(C)C
InChIInChI=1S/C11H21NO2/c1-4-5-12-10-7-14-6-9(10)11(13)8(2)3/h8-10,12H,4-7H2,1-3H3
InChIKeyGWOYVXSIGRCZDS-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587700
N-propan-2-yl-4-(propylamino)oxolane-3-carboxamide
CID 66254772
methyl 4-(propylamino)oxolane-3-carboxylate
CID 66252301
(2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66255015
cyclopropyl-[4-(propylamino)oxolan-3-yl]methanone
CID 116587886
1-[4-(propylamino)oxolan-3-yl]pentan-1-one
CID 116587714
2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66255984
ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate
CID 66257122
1-[4-(propylamino)oxolan-3-yl]undecan-1-one
CID 116587751
N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide
CID 66255598
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(propylamino)oxolane-3-carboxamide
CID 103188711
N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide
CID 107221302

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one (CID 116587663) is 2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one is CCCNC1COCC1C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one?
The InChIKey is GWOYVXSIGRCZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-5-12-10-7-14-6-9(10)11(13)8(2)3/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one?
2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one is sourced from PubChem (CID 116587663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).