N-[(1R)-2-methyl-1-[(2S)-oxolan-2-yl]propyl]propanamide;molecular hydrogen

C11H23NO2 — CID 169251140

IUPACN-[(1R)-2-methyl-1-[(2S)-oxolan-2-yl]propyl]propanamide;molecular hydrogen
SMILESCCC(=O)N[C@H](C(C)C)[C@@H]1CCCO1.[H][H]
InChIInChI=1S/C11H21NO2.H2/c1-4-10(13)12-11(8(2)3)9-6-5-7-14-9;/h8-9,11H,4-7H2,1-3H3,(H,12,13);1H/t9-,11+;/m0./s1
InChIKeyIPEIFOWRKXKUDP-QLSWKGBWSA-N
MW201.31 g/mol
LogP1.96
Rot. Bonds4

About N-[(1R)-2-methyl-1-[(2S)-oxolan-2-yl]propyl]propanamide;molecular hydrogen

N-[(1R)-2-methyl-1-[(2S)-oxolan-2-yl]propyl]propanamide;molecular hydrogen (PubChem CID 169251140) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[(1R)-2-methyl-1-[(2S)-oxolan-2-yl]propyl]propanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(1R)-2-methyl-1-[(2S)-oxolan-2-yl]propyl]propanamide;molecular hydrogen
PubChem CID169251140
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-[(1R)-2-methyl-1-[(2S)-oxolan-2-yl]propyl]propanamide;molecular hydrogen
SMILESCCC(=O)N[C@H](C(C)C)[C@@H]1CCCO1.[H][H]
InChIInChI=1S/C11H21NO2.H2/c1-4-10(13)12-11(8(2)3)9-6-5-7-14-9;/h8-9,11H,4-7H2,1-3H3,(H,12,13);1H/t9-,11+;/m0./s1
InChIKeyIPEIFOWRKXKUDP-QLSWKGBWSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methyl-1-[(2S)-oxolan-2-yl]propyl]propanamide;molecular hydrogen?
The IUPAC name of N-[(1R)-2-methyl-1-[(2S)-oxolan-2-yl]propyl]propanamide;molecular hydrogen (CID 169251140) is N-[(1R)-2-methyl-1-[(2S)-oxolan-2-yl]propyl]propanamide;molecular hydrogen.
What is the SMILES notation for N-[(1R)-2-methyl-1-[(2S)-oxolan-2-yl]propyl]propanamide;molecular hydrogen?
The canonical SMILES for N-[(1R)-2-methyl-1-[(2S)-oxolan-2-yl]propyl]propanamide;molecular hydrogen is CCC(=O)N[C@H](C(C)C)[C@@H]1CCCO1.[H][H].
What is the InChIKey of N-[(1R)-2-methyl-1-[(2S)-oxolan-2-yl]propyl]propanamide;molecular hydrogen?
The InChIKey is IPEIFOWRKXKUDP-QLSWKGBWSA-N. The full InChI is InChI=1S/C11H21NO2.H2/c1-4-10(13)12-11(8(2)3)9-6-5-7-14-9;/h8-9,11H,4-7H2,1-3H3,(H,12,13);1H/t9-,11+;/m0./s1.
What are the key properties of N-[(1R)-2-methyl-1-[(2S)-oxolan-2-yl]propyl]propanamide;molecular hydrogen?
N-[(1R)-2-methyl-1-[(2S)-oxolan-2-yl]propyl]propanamide;molecular hydrogen has a molecular weight of 201.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methyl-1-[(2S)-oxolan-2-yl]propyl]propanamide;molecular hydrogen is sourced from PubChem (CID 169251140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).