3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide

C9H18N2O — CID 67357853

IUPAC3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(C)C)C1
InChIInChI=1S/C9H18N2O/c1-7(2)10-9(12)11-5-4-8(3)6-11/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyTZDCBVBHRGWVDF-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.45
Rot. Bonds1

About 3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide

3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 67357853) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID67357853
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(C)C)C1
InChIInChI=1S/C9H18N2O/c1-7(2)10-9(12)11-5-4-8(3)6-11/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyTZDCBVBHRGWVDF-UHFFFAOYSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of 3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide (CID 67357853) is 3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide is CC1CCN(C(=O)NC(C)C)C1.
What is the InChIKey of 3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is TZDCBVBHRGWVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)10-9(12)11-5-4-8(3)6-11/h7-8H,4-6H2,1-3H3,(H,10,12).
What are the key properties of 3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide?
3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 67357853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).