2-methyl-2-pyrrolidin-1-ylbutanal

C9H17NO — CID 130591087

IUPAC2-methyl-2-pyrrolidin-1-ylbutanal
SMILESCCC(C)(C=O)N1CCCC1
InChIInChI=1S/C9H17NO/c1-3-9(2,8-11)10-6-4-5-7-10/h8H,3-7H2,1-2H3
InChIKeyIKBDBRUHHGLRJM-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.45
Rot. Bonds3

About 2-methyl-2-pyrrolidin-1-ylbutanal

2-methyl-2-pyrrolidin-1-ylbutanal (PubChem CID 130591087) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methyl-2-pyrrolidin-1-ylbutanal.

Molecular Properties

Compound Name2-methyl-2-pyrrolidin-1-ylbutanal
PubChem CID130591087
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-methyl-2-pyrrolidin-1-ylbutanal
SMILESCCC(C)(C=O)N1CCCC1
InChIInChI=1S/C9H17NO/c1-3-9(2,8-11)10-6-4-5-7-10/h8H,3-7H2,1-2H3
InChIKeyIKBDBRUHHGLRJM-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pyrrolidin-1-ylbutanal?
The IUPAC name of 2-methyl-2-pyrrolidin-1-ylbutanal (CID 130591087) is 2-methyl-2-pyrrolidin-1-ylbutanal.
What is the SMILES notation for 2-methyl-2-pyrrolidin-1-ylbutanal?
The canonical SMILES for 2-methyl-2-pyrrolidin-1-ylbutanal is CCC(C)(C=O)N1CCCC1.
What is the InChIKey of 2-methyl-2-pyrrolidin-1-ylbutanal?
The InChIKey is IKBDBRUHHGLRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-9(2,8-11)10-6-4-5-7-10/h8H,3-7H2,1-2H3.
What are the key properties of 2-methyl-2-pyrrolidin-1-ylbutanal?
2-methyl-2-pyrrolidin-1-ylbutanal has a molecular weight of 155.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pyrrolidin-1-ylbutanal is sourced from PubChem (CID 130591087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).