ethane;2-methylpyrrolidine-1-carbaldehyde

C8H17NO — CID 177315996

IUPACethane;2-methylpyrrolidine-1-carbaldehyde
SMILESCC.CC1CCCN1C=O
InChIInChI=1S/C6H11NO.C2H6/c1-6-3-2-4-7(6)5-8;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyOPJCNDZMYDOODV-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.65
Rot. Bonds1

About ethane;2-methylpyrrolidine-1-carbaldehyde

ethane;2-methylpyrrolidine-1-carbaldehyde (PubChem CID 177315996) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is ethane;2-methylpyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Nameethane;2-methylpyrrolidine-1-carbaldehyde
PubChem CID177315996
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nameethane;2-methylpyrrolidine-1-carbaldehyde
SMILESCC.CC1CCCN1C=O
InChIInChI=1S/C6H11NO.C2H6/c1-6-3-2-4-7(6)5-8;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyOPJCNDZMYDOODV-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpyrrolidine-1-carbaldehyde?
The IUPAC name of ethane;2-methylpyrrolidine-1-carbaldehyde (CID 177315996) is ethane;2-methylpyrrolidine-1-carbaldehyde.
What is the SMILES notation for ethane;2-methylpyrrolidine-1-carbaldehyde?
The canonical SMILES for ethane;2-methylpyrrolidine-1-carbaldehyde is CC.CC1CCCN1C=O.
What is the InChIKey of ethane;2-methylpyrrolidine-1-carbaldehyde?
The InChIKey is OPJCNDZMYDOODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C2H6/c1-6-3-2-4-7(6)5-8;1-2/h5-6H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;2-methylpyrrolidine-1-carbaldehyde?
ethane;2-methylpyrrolidine-1-carbaldehyde has a molecular weight of 143.23 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpyrrolidine-1-carbaldehyde is sourced from PubChem (CID 177315996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).