ethane;(1-methyl-2,5-dihydropyrrol-2-yl)methanol

C8H17NO — CID 164922118

IUPACethane;(1-methyl-2,5-dihydropyrrol-2-yl)methanol
SMILESCC.CN1CC=CC1CO
InChIInChI=1S/C6H11NO.C2H6/c1-7-4-2-3-6(7)5-8;1-2/h2-3,6,8H,4-5H2,1H3;1-2H3
InChIKeyFJCXEMOYYHJZTH-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.88
Rot. Bonds1

About ethane;(1-methyl-2,5-dihydropyrrol-2-yl)methanol

ethane;(1-methyl-2,5-dihydropyrrol-2-yl)methanol (PubChem CID 164922118) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is ethane;(1-methyl-2,5-dihydropyrrol-2-yl)methanol.

Molecular Properties

Compound Nameethane;(1-methyl-2,5-dihydropyrrol-2-yl)methanol
PubChem CID164922118
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nameethane;(1-methyl-2,5-dihydropyrrol-2-yl)methanol
SMILESCC.CN1CC=CC1CO
InChIInChI=1S/C6H11NO.C2H6/c1-7-4-2-3-6(7)5-8;1-2/h2-3,6,8H,4-5H2,1H3;1-2H3
InChIKeyFJCXEMOYYHJZTH-UHFFFAOYSA-N
XLogP0.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(1-methyl-2,5-dihydropyrrol-2-yl)methanol?
The IUPAC name of ethane;(1-methyl-2,5-dihydropyrrol-2-yl)methanol (CID 164922118) is ethane;(1-methyl-2,5-dihydropyrrol-2-yl)methanol.
What is the SMILES notation for ethane;(1-methyl-2,5-dihydropyrrol-2-yl)methanol?
The canonical SMILES for ethane;(1-methyl-2,5-dihydropyrrol-2-yl)methanol is CC.CN1CC=CC1CO.
What is the InChIKey of ethane;(1-methyl-2,5-dihydropyrrol-2-yl)methanol?
The InChIKey is FJCXEMOYYHJZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C2H6/c1-7-4-2-3-6(7)5-8;1-2/h2-3,6,8H,4-5H2,1H3;1-2H3.
What are the key properties of ethane;(1-methyl-2,5-dihydropyrrol-2-yl)methanol?
ethane;(1-methyl-2,5-dihydropyrrol-2-yl)methanol has a molecular weight of 143.23 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1-methyl-2,5-dihydropyrrol-2-yl)methanol is sourced from PubChem (CID 164922118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).