ethane;2-methyloxane-2-carboxamide

C9H19NO2 — CID 171543445

IUPACethane;2-methyloxane-2-carboxamide
SMILESCC.CC1(C(N)=O)CCCCO1
InChIInChI=1S/C7H13NO2.C2H6/c1-7(6(8)9)4-2-3-5-10-7;1-2/h2-5H2,1H3,(H2,8,9);1-2H3
InChIKeyPEWHZEKFFKEGGR-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.46
Rot. Bonds1

About ethane;2-methyloxane-2-carboxamide

ethane;2-methyloxane-2-carboxamide (PubChem CID 171543445) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethane;2-methyloxane-2-carboxamide.

Molecular Properties

Compound Nameethane;2-methyloxane-2-carboxamide
PubChem CID171543445
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethane;2-methyloxane-2-carboxamide
SMILESCC.CC1(C(N)=O)CCCCO1
InChIInChI=1S/C7H13NO2.C2H6/c1-7(6(8)9)4-2-3-5-10-7;1-2/h2-5H2,1H3,(H2,8,9);1-2H3
InChIKeyPEWHZEKFFKEGGR-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methylmorpholine-2-carboxamide
CID 92632786
(2S)-2-methylmorpholine-2-carboxamide
CID 92632785
ethyl 4-(2-methyloxan-2-yl)-4-oxobutanoate
CID 80681018
4-methyl-1-(2-methyloxan-2-yl)pentan-1-one
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tert-butyl 2-methyl-3-(2-methyloxan-2-yl)-3-oxopropanoate
CID 80680853
(2-methyloxan-2-yl)-(2,4,5-trimethylphenyl)methanone
CID 80690970
3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone
CID 102646988
(2S)-N-[1-(diethylaminomethyl)cyclopropyl]-2-methyloxane-2-carboxamide
CID 125445019
(2-fluorophenyl)-(2-methyloxan-2-yl)methanone
CID 80691647
2,2-dimethyloxane;methanamine
CID 144836185
1-aminocyclopentane-1-carboxamide;ethane
CID 176999310
(2R)-2-methyloxetane-2-carboxylic acid
CID 97031044

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyloxane-2-carboxamide?
The IUPAC name of ethane;2-methyloxane-2-carboxamide (CID 171543445) is ethane;2-methyloxane-2-carboxamide.
What is the SMILES notation for ethane;2-methyloxane-2-carboxamide?
The canonical SMILES for ethane;2-methyloxane-2-carboxamide is CC.CC1(C(N)=O)CCCCO1.
What is the InChIKey of ethane;2-methyloxane-2-carboxamide?
The InChIKey is PEWHZEKFFKEGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C2H6/c1-7(6(8)9)4-2-3-5-10-7;1-2/h2-5H2,1H3,(H2,8,9);1-2H3.
What are the key properties of ethane;2-methyloxane-2-carboxamide?
ethane;2-methyloxane-2-carboxamide has a molecular weight of 173.26 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyloxane-2-carboxamide is sourced from PubChem (CID 171543445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).