ethane;1-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide

C11H22N2O — CID 91609044

IUPACethane;1-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
SMILESCC.CN1CCC(C2(C(N)=O)CC2)C1
InChIInChI=1S/C9H16N2O.C2H6/c1-11-5-2-7(6-11)9(3-4-9)8(10)12;1-2/h7H,2-6H2,1H3,(H2,10,12);1-2H3
InChIKeyFNIMRMSJSSQIMM-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.23
Rot. Bonds2

About ethane;1-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide

ethane;1-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide (PubChem CID 91609044) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is ethane;1-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nameethane;1-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
PubChem CID91609044
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Nameethane;1-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
SMILESCC.CN1CCC(C2(C(N)=O)CC2)C1
InChIInChI=1S/C9H16N2O.C2H6/c1-11-5-2-7(6-11)9(3-4-9)8(10)12;1-2/h7H,2-6H2,1H3,(H2,10,12);1-2H3
InChIKeyFNIMRMSJSSQIMM-UHFFFAOYSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-acetylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 68593661
1-(1-methylpiperidin-3-yl)cyclopropane-1-carboxylic acid
CID 82407097
2,3,4,5,6,6a-hexahydro-1H-pentalene-3a-carboxamide
CID 12962923
1,3-dimethylpiperidine-4-carboxamide;ethane
CID 166075774
4-(1-methylpiperidin-3-yl)oxane-4-carbohydrazide
CID 116844613
1-cyclopropylcyclohexane-1-carboxamide
CID 57435201
1-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
CID 116874999
1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone
CID 116873792
1-(3-methylsulfonylcyclobutyl)cyclopropane-1-carboxamide
CID 178054668
acetic acid;1-methylpyrrolidine-3-thiol
CID 88601172
(4R)-1-methylpiperidine-3,4-diamine
CID 145189555
4-(1-tert-butylcyclopropyl)-1-methylpiperidine
CID 118329233

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of ethane;1-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide (CID 91609044) is ethane;1-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for ethane;1-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for ethane;1-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide is CC.CN1CCC(C2(C(N)=O)CC2)C1.
What is the InChIKey of ethane;1-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide?
The InChIKey is FNIMRMSJSSQIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.C2H6/c1-11-5-2-7(6-11)9(3-4-9)8(10)12;1-2/h7H,2-6H2,1H3,(H2,10,12);1-2H3.
What are the key properties of ethane;1-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide?
ethane;1-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 91609044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).