3-methyl-N-propan-2-yloxolane-3-carboxamide

C9H17NO2 — CID 126995753

IUPAC3-methyl-N-propan-2-yloxolane-3-carboxamide
SMILESCC(C)NC(=O)C1(C)CCOC1
InChIInChI=1S/C9H17NO2/c1-7(2)10-8(11)9(3)4-5-12-6-9/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyZWLFOCSCLNSKTA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds2

About 3-methyl-N-propan-2-yloxolane-3-carboxamide

3-methyl-N-propan-2-yloxolane-3-carboxamide (PubChem CID 126995753) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yloxolane-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-propan-2-yloxolane-3-carboxamide
PubChem CID126995753
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-methyl-N-propan-2-yloxolane-3-carboxamide
SMILESCC(C)NC(=O)C1(C)CCOC1
InChIInChI=1S/C9H17NO2/c1-7(2)10-8(11)9(3)4-5-12-6-9/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyZWLFOCSCLNSKTA-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yloxolane-3-carboxamide?
The IUPAC name of 3-methyl-N-propan-2-yloxolane-3-carboxamide (CID 126995753) is 3-methyl-N-propan-2-yloxolane-3-carboxamide.
What is the SMILES notation for 3-methyl-N-propan-2-yloxolane-3-carboxamide?
The canonical SMILES for 3-methyl-N-propan-2-yloxolane-3-carboxamide is CC(C)NC(=O)C1(C)CCOC1.
What is the InChIKey of 3-methyl-N-propan-2-yloxolane-3-carboxamide?
The InChIKey is ZWLFOCSCLNSKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)10-8(11)9(3)4-5-12-6-9/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 3-methyl-N-propan-2-yloxolane-3-carboxamide?
3-methyl-N-propan-2-yloxolane-3-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yloxolane-3-carboxamide is sourced from PubChem (CID 126995753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).