[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone

C16H21NO2 — CID 121197545

IUPAC[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC(OCC3CC3)C2)c1
InChIInChI=1S/C16H21NO2/c1-12-3-2-4-14(9-12)16(18)17-8-7-15(10-17)19-11-13-5-6-13/h2-4,9,13,15H,5-8,10-11H2,1H3
InChIKeyDJJOMBDEHFIIEV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.64
Rot. Bonds4

About [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone

[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone (PubChem CID 121197545) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone
PubChem CID121197545
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC(OCC3CC3)C2)c1
InChIInChI=1S/C16H21NO2/c1-12-3-2-4-14(9-12)16(18)17-8-7-15(10-17)19-11-13-5-6-13/h2-4,9,13,15H,5-8,10-11H2,1H3
InChIKeyDJJOMBDEHFIIEV-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 121022719
[(3R)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-difluorophenyl)methanone
CID 129358042
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-difluorophenyl)methanone
CID 119105495
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 129357837
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 121197527
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129452854
1-benzyl-6-(cyclopropylmethoxy)-4-(3-methylbenzoyl)-1,4-diazepan-2-one
CID 45159074
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 121197580
[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylphenyl)methanone
CID 91918024
1,3-benzodioxol-5-yl-[(3R)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]methanone
CID 129357465
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2,6-difluorophenyl)methanone
CID 121197502

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone (CID 121197545) is [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCC(OCC3CC3)C2)c1.
What is the InChIKey of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is DJJOMBDEHFIIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-3-2-4-14(9-12)16(18)17-8-7-15(10-17)19-11-13-5-6-13/h2-4,9,13,15H,5-8,10-11H2,1H3.
What are the key properties of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone?
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 259.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 121197545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).