ethane;methanol;(1-methylcyclopropyl)-(2-methylpyrrolidin-1-yl)methanone

C13H27NO2 — CID 143121431

IUPACethane;methanol;(1-methylcyclopropyl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC.CC1CCCN1C(=O)C1(C)CC1.CO
InChIInChI=1S/C10H17NO.C2H6.CH4O/c1-8-4-3-7-11(8)9(12)10(2)5-6-10;2*1-2/h8H,3-7H2,1-2H3;1-2H3;2H,1H3
InChIKeyQSKPGHUKNIMHOS-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.43
Rot. Bonds1

About ethane;methanol;(1-methylcyclopropyl)-(2-methylpyrrolidin-1-yl)methanone

ethane;methanol;(1-methylcyclopropyl)-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 143121431) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is ethane;methanol;(1-methylcyclopropyl)-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Nameethane;methanol;(1-methylcyclopropyl)-(2-methylpyrrolidin-1-yl)methanone
PubChem CID143121431
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Nameethane;methanol;(1-methylcyclopropyl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC.CC1CCCN1C(=O)C1(C)CC1.CO
InChIInChI=1S/C10H17NO.C2H6.CH4O/c1-8-4-3-7-11(8)9(12)10(2)5-6-10;2*1-2/h8H,3-7H2,1-2H3;1-2H3;2H,1H3
InChIKeyQSKPGHUKNIMHOS-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;methanol;(1-methylcyclopropyl)-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of ethane;methanol;(1-methylcyclopropyl)-(2-methylpyrrolidin-1-yl)methanone (CID 143121431) is ethane;methanol;(1-methylcyclopropyl)-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for ethane;methanol;(1-methylcyclopropyl)-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for ethane;methanol;(1-methylcyclopropyl)-(2-methylpyrrolidin-1-yl)methanone is CC.CC1CCCN1C(=O)C1(C)CC1.CO.
What is the InChIKey of ethane;methanol;(1-methylcyclopropyl)-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is QSKPGHUKNIMHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.C2H6.CH4O/c1-8-4-3-7-11(8)9(12)10(2)5-6-10;2*1-2/h8H,3-7H2,1-2H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;(1-methylcyclopropyl)-(2-methylpyrrolidin-1-yl)methanone?
ethane;methanol;(1-methylcyclopropyl)-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 229.36 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;(1-methylcyclopropyl)-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 143121431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).