ethane;1-ethanimidoylpyrrolidin-3-ol

C8H18N2O — CID 145296457

IUPACethane;1-ethanimidoylpyrrolidin-3-ol
SMILESCC.[H]/N=C(\C)N1CCC(O)C1
InChIInChI=1S/C6H12N2O.C2H6/c1-5(7)8-3-2-6(9)4-8;1-2/h6-7,9H,2-4H2,1H3;1-2H3/b7-5+;
InChIKeyKSGOQVNTUCSITP-GZOLSCHFSA-N
MW158.25 g/mol
LogP1.08
Rot. Bonds

About ethane;1-ethanimidoylpyrrolidin-3-ol

ethane;1-ethanimidoylpyrrolidin-3-ol (PubChem CID 145296457) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is ethane;1-ethanimidoylpyrrolidin-3-ol.

Molecular Properties

Compound Nameethane;1-ethanimidoylpyrrolidin-3-ol
PubChem CID145296457
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Nameethane;1-ethanimidoylpyrrolidin-3-ol
SMILESCC.[H]/N=C(\C)N1CCC(O)C1
InChIInChI=1S/C6H12N2O.C2H6/c1-5(7)8-3-2-6(9)4-8;1-2/h6-7,9H,2-4H2,1H3;1-2H3/b7-5+;
InChIKeyKSGOQVNTUCSITP-GZOLSCHFSA-N
XLogP1.08
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethanimidoylpyrrolidin-3-ol?
The IUPAC name of ethane;1-ethanimidoylpyrrolidin-3-ol (CID 145296457) is ethane;1-ethanimidoylpyrrolidin-3-ol.
What is the SMILES notation for ethane;1-ethanimidoylpyrrolidin-3-ol?
The canonical SMILES for ethane;1-ethanimidoylpyrrolidin-3-ol is CC.[H]/N=C(\C)N1CCC(O)C1.
What is the InChIKey of ethane;1-ethanimidoylpyrrolidin-3-ol?
The InChIKey is KSGOQVNTUCSITP-GZOLSCHFSA-N. The full InChI is InChI=1S/C6H12N2O.C2H6/c1-5(7)8-3-2-6(9)4-8;1-2/h6-7,9H,2-4H2,1H3;1-2H3/b7-5+;.
What are the key properties of ethane;1-ethanimidoylpyrrolidin-3-ol?
ethane;1-ethanimidoylpyrrolidin-3-ol has a molecular weight of 158.25 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethanimidoylpyrrolidin-3-ol is sourced from PubChem (CID 145296457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).