N-[4-(2-methylpropanoyl)oxan-4-yl]formamide

C10H17NO3 — CID 156741404

IUPACN-[4-(2-methylpropanoyl)oxan-4-yl]formamide
SMILESCC(C)C(=O)C1(NC=O)CCOCC1
InChIInChI=1S/C10H17NO3/c1-8(2)9(13)10(11-7-12)3-5-14-6-4-10/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyOOIMKOQSGUJKOZ-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.51
Rot. Bonds4

About N-[4-(2-methylpropanoyl)oxan-4-yl]formamide

N-[4-(2-methylpropanoyl)oxan-4-yl]formamide (PubChem CID 156741404) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[4-(2-methylpropanoyl)oxan-4-yl]formamide.

Molecular Properties

Compound NameN-[4-(2-methylpropanoyl)oxan-4-yl]formamide
PubChem CID156741404
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN-[4-(2-methylpropanoyl)oxan-4-yl]formamide
SMILESCC(C)C(=O)C1(NC=O)CCOCC1
InChIInChI=1S/C10H17NO3/c1-8(2)9(13)10(11-7-12)3-5-14-6-4-10/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyOOIMKOQSGUJKOZ-UHFFFAOYSA-N
XLogP0.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-propan-2-ylsulfonyloxane-4-carbaldehyde
CID 115032110
(2R)-2-hydroxy-N-(4-methyloxan-4-yl)propanamide
CID 130718981
N-[1-(2-methylpropanoyl)cyclopropyl]acetamide
CID 176582512
2-methyl-1-[(3S)-3-propyloxolan-3-yl]propan-1-one
CID 176614557
N-(4-methyloxan-4-yl)-2-sulfanylpropanamide
CID 107035609
4-(4-aminopentanoylamino)oxane-4-carboxylic acid
CID 115292369
N-(4-acetyloxan-4-yl)acetamide
CID 118218318
4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]oxane-4-carboxylic acid
CID 113280445
3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid
CID 64888098
3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid
CID 103871073
bis(carbon dioxide);2-methyl-1-(4-pyrrol-1-yloxan-4-yl)propan-1-one
CID 162119507
3-(2-methylbutanoylamino)oxolane-3-carboxylic acid
CID 64888643

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropanoyl)oxan-4-yl]formamide?
The IUPAC name of N-[4-(2-methylpropanoyl)oxan-4-yl]formamide (CID 156741404) is N-[4-(2-methylpropanoyl)oxan-4-yl]formamide.
What is the SMILES notation for N-[4-(2-methylpropanoyl)oxan-4-yl]formamide?
The canonical SMILES for N-[4-(2-methylpropanoyl)oxan-4-yl]formamide is CC(C)C(=O)C1(NC=O)CCOCC1.
What is the InChIKey of N-[4-(2-methylpropanoyl)oxan-4-yl]formamide?
The InChIKey is OOIMKOQSGUJKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(2)9(13)10(11-7-12)3-5-14-6-4-10/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-[4-(2-methylpropanoyl)oxan-4-yl]formamide?
N-[4-(2-methylpropanoyl)oxan-4-yl]formamide has a molecular weight of 199.25 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropanoyl)oxan-4-yl]formamide is sourced from PubChem (CID 156741404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).