(3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone

C10H18N2O — CID 85176427

IUPAC(3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
SMILESCC1CCNC1C(=O)N1CCCC1
InChIInChI=1S/C10H18N2O/c1-8-4-5-11-9(8)10(13)12-6-2-3-7-12/h8-9,11H,2-7H2,1H3
InChIKeyOEORXJBUWWNTSB-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.61
Rot. Bonds1

About (3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone

(3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 85176427) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID85176427
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
SMILESCC1CCNC1C(=O)N1CCCC1
InChIInChI=1S/C10H18N2O/c1-8-4-5-11-9(8)10(13)12-6-2-3-7-12/h8-9,11H,2-7H2,1H3
InChIKeyOEORXJBUWWNTSB-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-(3-methylpyrrolidine-2-carbonyl)piperidine-4-carboxamide
CID 102778682
1,4-diazepan-1-yl-(3-methylpiperidin-2-yl)methanone
CID 107067220
(3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid
CID 107068398
N-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 102778694
3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid
CID 102779251
N-[[1-(3-methylpyrrolidine-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102780192
(3-methylpiperidin-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 63007381
(3-ethylpyrrolidin-1-yl)-(3-methylpyrrolidin-2-yl)methanone
CID 102780010
(4-methoxypiperidin-1-yl)-(3-methylpiperidin-2-yl)methanone
CID 62339458
2-[4-(3-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 107068136
(3-methylaziridin-2-yl)-pyrrolidin-1-ylmethanone
CID 15864838
(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-2-yl)methanone
CID 102776845

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone (CID 85176427) is (3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone is CC1CCNC1C(=O)N1CCCC1.
What is the InChIKey of (3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is OEORXJBUWWNTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8-4-5-11-9(8)10(13)12-6-2-3-7-12/h8-9,11H,2-7H2,1H3.
What are the key properties of (3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone?
(3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 182.27 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 85176427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).