N-(1-methylpyrrolidin-3-yl)propanamide

C8H16N2O — CID 18723369

IUPACN-(1-methylpyrrolidin-3-yl)propanamide
SMILESCCC(=O)NC1CCN(C)C1
InChIInChI=1S/C8H16N2O/c1-3-8(11)9-7-4-5-10(2)6-7/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyBEXZCVBUNQQHHG-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.22
Rot. Bonds2

About N-(1-methylpyrrolidin-3-yl)propanamide

N-(1-methylpyrrolidin-3-yl)propanamide (PubChem CID 18723369) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)propanamide
PubChem CID18723369
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-(1-methylpyrrolidin-3-yl)propanamide
SMILESCCC(=O)NC1CCN(C)C1
InChIInChI=1S/C8H16N2O/c1-3-8(11)9-7-4-5-10(2)6-7/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyBEXZCVBUNQQHHG-UHFFFAOYSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)propanamide?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)propanamide (CID 18723369) is N-(1-methylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)propanamide?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)propanamide is CCC(=O)NC1CCN(C)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)propanamide?
The InChIKey is BEXZCVBUNQQHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-8(11)9-7-4-5-10(2)6-7/h7H,3-6H2,1-2H3,(H,9,11).
What are the key properties of N-(1-methylpyrrolidin-3-yl)propanamide?
N-(1-methylpyrrolidin-3-yl)propanamide has a molecular weight of 156.23 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 18723369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).