2-[(2S,3R)-3-methyloxepan-2-yl]acetamide

C9H17NO2 — CID 121479434

IUPAC2-[(2S,3R)-3-methyloxepan-2-yl]acetamide
SMILESC[C@@H]1CCCCO[C@H]1CC(N)=O
InChIInChI=1S/C9H17NO2/c1-7-4-2-3-5-12-8(7)6-9(10)11/h7-8H,2-6H2,1H3,(H2,10,11)/t7-,8+/m1/s1
InChIKeyBPKWSFMCYFBCNP-SFYZADRCSA-N
MW171.24 g/mol
LogP1.07
Rot. Bonds2

About 2-[(2S,3R)-3-methyloxepan-2-yl]acetamide

2-[(2S,3R)-3-methyloxepan-2-yl]acetamide (PubChem CID 121479434) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[(2S,3R)-3-methyloxepan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2S,3R)-3-methyloxepan-2-yl]acetamide
PubChem CID121479434
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-[(2S,3R)-3-methyloxepan-2-yl]acetamide
SMILESC[C@@H]1CCCCO[C@H]1CC(N)=O
InChIInChI=1S/C9H17NO2/c1-7-4-2-3-5-12-8(7)6-9(10)11/h7-8H,2-6H2,1H3,(H2,10,11)/t7-,8+/m1/s1
InChIKeyBPKWSFMCYFBCNP-SFYZADRCSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R)-3-methyloxepan-2-yl]acetamide?
The IUPAC name of 2-[(2S,3R)-3-methyloxepan-2-yl]acetamide (CID 121479434) is 2-[(2S,3R)-3-methyloxepan-2-yl]acetamide.
What is the SMILES notation for 2-[(2S,3R)-3-methyloxepan-2-yl]acetamide?
The canonical SMILES for 2-[(2S,3R)-3-methyloxepan-2-yl]acetamide is C[C@@H]1CCCCO[C@H]1CC(N)=O.
What is the InChIKey of 2-[(2S,3R)-3-methyloxepan-2-yl]acetamide?
The InChIKey is BPKWSFMCYFBCNP-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-4-2-3-5-12-8(7)6-9(10)11/h7-8H,2-6H2,1H3,(H2,10,11)/t7-,8+/m1/s1.
What are the key properties of 2-[(2S,3R)-3-methyloxepan-2-yl]acetamide?
2-[(2S,3R)-3-methyloxepan-2-yl]acetamide has a molecular weight of 171.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R)-3-methyloxepan-2-yl]acetamide is sourced from PubChem (CID 121479434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).