1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one

C12H23NO2 — CID 174163970

IUPAC1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one
SMILESCCC(=O)COC[C@@H]1CCCN1C(C)C
InChIInChI=1S/C12H23NO2/c1-4-12(14)9-15-8-11-6-5-7-13(11)10(2)3/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyLWDDQSCVTJFWCA-NSHDSACASA-N
MW213.32 g/mol
LogP1.85
Rot. Bonds6

About 1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one

1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one (PubChem CID 174163970) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one.

Molecular Properties

Compound Name1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one
PubChem CID174163970
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one
SMILESCCC(=O)COC[C@@H]1CCCN1C(C)C
InChIInChI=1S/C12H23NO2/c1-4-12(14)9-15-8-11-6-5-7-13(11)10(2)3/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyLWDDQSCVTJFWCA-NSHDSACASA-N
XLogP1.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one
CID 170366481
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate
CID 164547816
6-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]hexanoic acid
CID 174164475
4-methyl-1-[(1-propan-2-ylpiperidin-2-yl)methoxy]pentan-3-one
CID 167242279
1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
CID 164547301
3-oxo-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pentane-1-sulfonamide
CID 174163931
methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate
CID 162750775
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
CID 79537839
(1-propan-2-ylazetidin-2-yl)methyl carbamate
CID 175128148
methyl 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]prop-2-enoate
CID 117266941
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
CID 156593878

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one?
The IUPAC name of 1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one (CID 174163970) is 1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one.
What is the SMILES notation for 1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one?
The canonical SMILES for 1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one is CCC(=O)COC[C@@H]1CCCN1C(C)C.
What is the InChIKey of 1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one?
The InChIKey is LWDDQSCVTJFWCA-NSHDSACASA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-12(14)9-15-8-11-6-5-7-13(11)10(2)3/h10-11H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one?
1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one has a molecular weight of 213.32 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one is sourced from PubChem (CID 174163970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).