butan-1-ol;pyrrolidine-1-carbaldehyde

C9H19NO2 — CID 161098245

IUPACbutan-1-ol;pyrrolidine-1-carbaldehyde
SMILESCCCCO.O=CN1CCCC1
InChIInChI=1S/C5H9NO.C4H10O/c7-5-6-3-1-2-4-6;1-2-3-4-5/h5H,1-4H2;5H,2-4H2,1H3
InChIKeyUIBSGLFYIMNARH-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.02
Rot. Bonds3

About butan-1-ol;pyrrolidine-1-carbaldehyde

butan-1-ol;pyrrolidine-1-carbaldehyde (PubChem CID 161098245) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is butan-1-ol;pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Namebutan-1-ol;pyrrolidine-1-carbaldehyde
PubChem CID161098245
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namebutan-1-ol;pyrrolidine-1-carbaldehyde
SMILESCCCCO.O=CN1CCCC1
InChIInChI=1S/C5H9NO.C4H10O/c7-5-6-3-1-2-4-6;1-2-3-4-5/h5H,1-4H2;5H,2-4H2,1H3
InChIKeyUIBSGLFYIMNARH-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butan-1-ol;pyrrolidine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;piperidine-1-carbaldehyde;propane
CID 170585838
bis(butan-1-ol);cyclobutane
CID 140562216
butan-1-ol;2-oxopropanal
CID 159639130
butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
butan-1-ol;formic acid;hydrate;hydrochloride
CID 174766764
4-butylpiperazine-1-carbaldehyde;ethane
CID 164877634
tetrakis(butan-1-ol);oxozirconium
CID 173370140
N-butyl-1-formylpiperidine-4-carboxamide
CID 64992513
pentakis(butan-1-ol);vanadium
CID 14228635
butan-1-ol;cadmium
CID 154199105
tris(butan-1-ol);zirconium
CID 25200102

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;pyrrolidine-1-carbaldehyde?
The IUPAC name of butan-1-ol;pyrrolidine-1-carbaldehyde (CID 161098245) is butan-1-ol;pyrrolidine-1-carbaldehyde.
What is the SMILES notation for butan-1-ol;pyrrolidine-1-carbaldehyde?
The canonical SMILES for butan-1-ol;pyrrolidine-1-carbaldehyde is CCCCO.O=CN1CCCC1.
What is the InChIKey of butan-1-ol;pyrrolidine-1-carbaldehyde?
The InChIKey is UIBSGLFYIMNARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C4H10O/c7-5-6-3-1-2-4-6;1-2-3-4-5/h5H,1-4H2;5H,2-4H2,1H3.
What are the key properties of butan-1-ol;pyrrolidine-1-carbaldehyde?
butan-1-ol;pyrrolidine-1-carbaldehyde has a molecular weight of 173.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 161098245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).