cyclopropyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone

C13H22N2O2 — CID 172908968

IUPACcyclopropyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(NC2CCOCC2)C1
InChIInChI=1S/C13H22N2O2/c16-13(10-1-2-10)15-6-3-12(9-15)14-11-4-7-17-8-5-11/h10-12,14H,1-9H2
InChIKeyWPNHDRHFBSLELZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.77
Rot. Bonds3

About cyclopropyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone

cyclopropyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone (PubChem CID 172908968) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is cyclopropyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone
PubChem CID172908968
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Namecyclopropyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(NC2CCOCC2)C1
InChIInChI=1S/C13H22N2O2/c16-13(10-1-2-10)15-6-3-12(9-15)14-11-4-7-17-8-5-11/h10-12,14H,1-9H2
InChIKeyWPNHDRHFBSLELZ-UHFFFAOYSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylamino)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 81468978
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]morpholine-4-carboxamide
CID 110871493
cyclopropyl-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]piperidin-1-yl]methanone
CID 62981831
4-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]piperidine-1-carboxamide
CID 43791478
[3-(methylamino)piperidin-1-yl]-(oxan-4-yl)methanone;hydrochloride
CID 119487408
[(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 172646277
4-(oxan-4-ylamino)cyclohexane-1-carboxylic acid
CID 63936456
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanamide
CID 110871450
N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 95051787
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 129367608
cyclopropyl-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]methanone
CID 115335726
2-(2-hydroxyethylsulfonyl)-N-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]acetamide
CID 167778953

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone (CID 172908968) is cyclopropyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone is O=C(C1CC1)N1CCC(NC2CCOCC2)C1.
What is the InChIKey of cyclopropyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone?
The InChIKey is WPNHDRHFBSLELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-13(10-1-2-10)15-6-3-12(9-15)14-11-4-7-17-8-5-11/h10-12,14H,1-9H2.
What are the key properties of cyclopropyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone?
cyclopropyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone has a molecular weight of 238.33 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 172908968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).