2,3-dimethyl-3-pyrrolidin-1-ylbutanal

C10H19NO — CID 175610716

IUPAC2,3-dimethyl-3-pyrrolidin-1-ylbutanal
SMILESCC(C=O)C(C)(C)N1CCCC1
InChIInChI=1S/C10H19NO/c1-9(8-12)10(2,3)11-6-4-5-7-11/h8-9H,4-7H2,1-3H3
InChIKeyORYHZZZGIILCIP-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds3

About 2,3-dimethyl-3-pyrrolidin-1-ylbutanal

2,3-dimethyl-3-pyrrolidin-1-ylbutanal (PubChem CID 175610716) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,3-dimethyl-3-pyrrolidin-1-ylbutanal.

Molecular Properties

Compound Name2,3-dimethyl-3-pyrrolidin-1-ylbutanal
PubChem CID175610716
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2,3-dimethyl-3-pyrrolidin-1-ylbutanal
SMILESCC(C=O)C(C)(C)N1CCCC1
InChIInChI=1S/C10H19NO/c1-9(8-12)10(2,3)11-6-4-5-7-11/h8-9H,4-7H2,1-3H3
InChIKeyORYHZZZGIILCIP-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-pyrrolidin-1-ylpropanal
CID 87834675
2-chloro-2-pyrrolidin-1-ylpropanal
CID 174734311
2,5-dimethyl-2-pyrrolidin-1-ylhexan-3-ol
CID 79056027
3-methyl-3-piperidin-1-ylbutanal
CID 102486553
2-methyl-3-phenyl-3-piperidin-1-ylhex-5-enal
CID 88711177
2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-ol
CID 130878060
methyl 2,2,3,4,5-pentamethyl-5-piperidin-1-ylhexanoate
CID 20714215
2-methyl-2-piperidin-1-ylbutanal
CID 130591088
2,2-dimethylpropanal;ethane;1-propan-2-ylpiperidine
CID 177325455
2,4-dimethyl-2-pyrrolidin-1-ylheptan-3-ol
CID 107892960
1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 79044925
3-methyl-1-propan-2-yloxy-3-pyrrolidin-1-ylbutan-2-ol
CID 79568014

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-pyrrolidin-1-ylbutanal?
The IUPAC name of 2,3-dimethyl-3-pyrrolidin-1-ylbutanal (CID 175610716) is 2,3-dimethyl-3-pyrrolidin-1-ylbutanal.
What is the SMILES notation for 2,3-dimethyl-3-pyrrolidin-1-ylbutanal?
The canonical SMILES for 2,3-dimethyl-3-pyrrolidin-1-ylbutanal is CC(C=O)C(C)(C)N1CCCC1.
What is the InChIKey of 2,3-dimethyl-3-pyrrolidin-1-ylbutanal?
The InChIKey is ORYHZZZGIILCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(8-12)10(2,3)11-6-4-5-7-11/h8-9H,4-7H2,1-3H3.
What are the key properties of 2,3-dimethyl-3-pyrrolidin-1-ylbutanal?
2,3-dimethyl-3-pyrrolidin-1-ylbutanal has a molecular weight of 169.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-pyrrolidin-1-ylbutanal is sourced from PubChem (CID 175610716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).