N-propyl-N-pyrrolidin-1-ylformamide

C8H16N2O — CID 91003887

IUPACN-propyl-N-pyrrolidin-1-ylformamide
SMILESCCCN(C=O)N1CCCC1
InChIInChI=1S/C8H16N2O/c1-2-5-10(8-11)9-6-3-4-7-9/h8H,2-7H2,1H3
InChIKeyHOHKRDBDSVTBAF-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.87
Rot. Bonds4

About N-propyl-N-pyrrolidin-1-ylformamide

N-propyl-N-pyrrolidin-1-ylformamide (PubChem CID 91003887) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-propyl-N-pyrrolidin-1-ylformamide.

Molecular Properties

Compound NameN-propyl-N-pyrrolidin-1-ylformamide
PubChem CID91003887
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-propyl-N-pyrrolidin-1-ylformamide
SMILESCCCN(C=O)N1CCCC1
InChIInChI=1S/C8H16N2O/c1-2-5-10(8-11)9-6-3-4-7-9/h8H,2-7H2,1H3
InChIKeyHOHKRDBDSVTBAF-UHFFFAOYSA-N
XLogP0.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-propylpyrrolidin-1-amine
CID 69162248
N-methyl-N-piperidin-1-ylformamide
CID 12838505
N-propyl-N-(2H-1,3-thiazol-3-yl)formamide
CID 123622573
N,N-diethylpyrrolidin-1-amine
CID 14627499
N-ethyl-N-methylpyrrolidin-1-amine
CID 19931071
N-bromo-N-propylformamide
CID 173221456
N-cyclopropyl-N-ethylpyrrolidin-1-amine
CID 175188509
3-(4-formylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide
CID 108961072
1-dodec-1-enylpiperidine
CID 54388072
S-[methyl(propyl)amino] methanethioate
CID 54385630
ethane;piperidine-1-carbaldehyde;propane
CID 170585838
N-[2-[formyl(piperidin-1-ylmethyl)amino]ethyl]-N-(piperidin-1-ylmethyl)formamide
CID 2928717

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrolidin-1-ylformamide?
The IUPAC name of N-propyl-N-pyrrolidin-1-ylformamide (CID 91003887) is N-propyl-N-pyrrolidin-1-ylformamide.
What is the SMILES notation for N-propyl-N-pyrrolidin-1-ylformamide?
The canonical SMILES for N-propyl-N-pyrrolidin-1-ylformamide is CCCN(C=O)N1CCCC1.
What is the InChIKey of N-propyl-N-pyrrolidin-1-ylformamide?
The InChIKey is HOHKRDBDSVTBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-5-10(8-11)9-6-3-4-7-9/h8H,2-7H2,1H3.
What are the key properties of N-propyl-N-pyrrolidin-1-ylformamide?
N-propyl-N-pyrrolidin-1-ylformamide has a molecular weight of 156.23 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyrrolidin-1-ylformamide is sourced from PubChem (CID 91003887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).