3-(cyclopropylmethoxy)-N-propylpyrrolidine-1-carboxamide

C12H22N2O2 — CID 121197651

IUPAC3-(cyclopropylmethoxy)-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(OCC2CC2)C1
InChIInChI=1S/C12H22N2O2/c1-2-6-13-12(15)14-7-5-11(8-14)16-9-10-3-4-10/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyPQRASKDLJDIOQC-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.61
Rot. Bonds5

About 3-(cyclopropylmethoxy)-N-propylpyrrolidine-1-carboxamide

3-(cyclopropylmethoxy)-N-propylpyrrolidine-1-carboxamide (PubChem CID 121197651) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-propylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-propylpyrrolidine-1-carboxamide
PubChem CID121197651
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(cyclopropylmethoxy)-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(OCC2CC2)C1
InChIInChI=1S/C12H22N2O2/c1-2-6-13-12(15)14-7-5-11(8-14)16-9-10-3-4-10/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyPQRASKDLJDIOQC-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropylmethoxy)-N-prop-2-enylpyrrolidine-1-carboxamide
CID 121197691
N-tert-butyl-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide
CID 121197654
3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 62371161
3-(methylaminomethyl)-N-propylpyrrolidine-1-carboxamide
CID 63264228
4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide
CID 80552356
3-amino-N-propylpiperidine-1-carboxamide
CID 61295715
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
3-methoxy-4-methyl-N-propylpiperidine-1-carboxamide
CID 102674016
cyclobutylmethyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129356038
cyclobutylmethyl (3S)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129356040
3-[4-(3-azabicyclo[3.2.2]nonane-3-carbonyl)phenoxy]-N-propylpyrrolidine-1-carboxamide
CID 66630058
3-(cyclopropylmethoxy)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 121197684

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-propylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(cyclopropylmethoxy)-N-propylpyrrolidine-1-carboxamide (CID 121197651) is 3-(cyclopropylmethoxy)-N-propylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-propylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-propylpyrrolidine-1-carboxamide is CCCNC(=O)N1CCC(OCC2CC2)C1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-propylpyrrolidine-1-carboxamide?
The InChIKey is PQRASKDLJDIOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-6-13-12(15)14-7-5-11(8-14)16-9-10-3-4-10/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of 3-(cyclopropylmethoxy)-N-propylpyrrolidine-1-carboxamide?
3-(cyclopropylmethoxy)-N-propylpyrrolidine-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-propylpyrrolidine-1-carboxamide is sourced from PubChem (CID 121197651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).