[2-(2-methylphenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

C19H26N2O — CID 71930075

IUPAC[2-(2-methylphenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESCc1ccccc1C1CC1C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C19H26N2O/c1-14-6-2-3-7-16(14)17-12-18(17)19(22)21-11-8-15(13-21)20-9-4-5-10-20/h2-3,6-7,15,17-18H,4-5,8-13H2,1H3
InChIKeyMAZDZRYBPOFSBI-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.80
Rot. Bonds3

About [2-(2-methylphenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

[2-(2-methylphenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 71930075) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is [2-(2-methylphenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-methylphenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
PubChem CID71930075
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name[2-(2-methylphenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESCc1ccccc1C1CC1C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C19H26N2O/c1-14-6-2-3-7-16(14)17-12-18(17)19(22)21-11-8-15(13-21)20-9-4-5-10-20/h2-3,6-7,15,17-18H,4-5,8-13H2,1H3
InChIKeyMAZDZRYBPOFSBI-UHFFFAOYSA-N
XLogP2.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1-[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 100857908
1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 84588684
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone;hydrochloride
CID 119412430
1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide
CID 119137675
[2-(2-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997781
[(1R,2R)-2-(2-methylphenyl)cyclopropyl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124697762
3-[(3S)-1-[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]piperidin-3-yl]propanoic acid
CID 99851800
1,4-diazepan-1-yl-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119417577
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119624499
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119647354
2-[3-(2-methylphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975828
[2-(2-methylphenyl)cyclopropyl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 71866030

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [2-(2-methylphenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (CID 71930075) is [2-(2-methylphenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-(2-methylphenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [2-(2-methylphenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is Cc1ccccc1C1CC1C(=O)N1CCC(N2CCCC2)C1.
What is the InChIKey of [2-(2-methylphenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is MAZDZRYBPOFSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-14-6-2-3-7-16(14)17-12-18(17)19(22)21-11-8-15(13-21)20-9-4-5-10-20/h2-3,6-7,15,17-18H,4-5,8-13H2,1H3.
What are the key properties of [2-(2-methylphenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
[2-(2-methylphenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 298.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 71930075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).