N-[(4S)-4-propylpyrrolidin-2-yl]formamide

C8H16N2O — CID 174980163

IUPACN-[(4S)-4-propylpyrrolidin-2-yl]formamide
SMILESCCC[C@@H]1CNC(NC=O)C1
InChIInChI=1S/C8H16N2O/c1-2-3-7-4-8(9-5-7)10-6-11/h6-9H,2-5H2,1H3,(H,10,11)/t7-,8?/m0/s1
InChIKeyRBLFAOLYLHRENY-JAMMHHFISA-N
MW156.23 g/mol
LogP0.47
Rot. Bonds4

About N-[(4S)-4-propylpyrrolidin-2-yl]formamide

N-[(4S)-4-propylpyrrolidin-2-yl]formamide (PubChem CID 174980163) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-[(4S)-4-propylpyrrolidin-2-yl]formamide.

Molecular Properties

Compound NameN-[(4S)-4-propylpyrrolidin-2-yl]formamide
PubChem CID174980163
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-[(4S)-4-propylpyrrolidin-2-yl]formamide
SMILESCCC[C@@H]1CNC(NC=O)C1
InChIInChI=1S/C8H16N2O/c1-2-3-7-4-8(9-5-7)10-6-11/h6-9H,2-5H2,1H3,(H,10,11)/t7-,8?/m0/s1
InChIKeyRBLFAOLYLHRENY-JAMMHHFISA-N
XLogP0.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-propylpyrrolidin-2-yl]formamide?
The IUPAC name of N-[(4S)-4-propylpyrrolidin-2-yl]formamide (CID 174980163) is N-[(4S)-4-propylpyrrolidin-2-yl]formamide.
What is the SMILES notation for N-[(4S)-4-propylpyrrolidin-2-yl]formamide?
The canonical SMILES for N-[(4S)-4-propylpyrrolidin-2-yl]formamide is CCC[C@@H]1CNC(NC=O)C1.
What is the InChIKey of N-[(4S)-4-propylpyrrolidin-2-yl]formamide?
The InChIKey is RBLFAOLYLHRENY-JAMMHHFISA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-3-7-4-8(9-5-7)10-6-11/h6-9H,2-5H2,1H3,(H,10,11)/t7-,8?/m0/s1.
What are the key properties of N-[(4S)-4-propylpyrrolidin-2-yl]formamide?
N-[(4S)-4-propylpyrrolidin-2-yl]formamide has a molecular weight of 156.23 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-propylpyrrolidin-2-yl]formamide is sourced from PubChem (CID 174980163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).