prop-1-ene;1-propylpyrrolidine

C10H21N — CID 143531885

IUPACprop-1-ene;1-propylpyrrolidine
SMILESC=CC.CCCN1CCCC1
InChIInChI=1S/C7H15N.C3H6/c1-2-5-8-6-3-4-7-8;1-3-2/h2-7H2,1H3;3H,1H2,2H3
InChIKeyJYHUJZVUEKAYAC-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.68
Rot. Bonds2

About prop-1-ene;1-propylpyrrolidine

prop-1-ene;1-propylpyrrolidine (PubChem CID 143531885) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is prop-1-ene;1-propylpyrrolidine.

Molecular Properties

Compound Nameprop-1-ene;1-propylpyrrolidine
PubChem CID143531885
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameprop-1-ene;1-propylpyrrolidine
SMILESC=CC.CCCN1CCCC1
InChIInChI=1S/C7H15N.C3H6/c1-2-5-8-6-3-4-7-8;1-3-2/h2-7H2,1H3;3H,1H2,2H3
InChIKeyJYHUJZVUEKAYAC-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze prop-1-ene;1-propylpyrrolidine 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

1-propylpyrrolidine;hydrobromide
CID 173024709
1-pentylpiperidine;prop-1-ene
CID 174775307
1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 135208810
methanol;1-propylpiperidine
CID 171515121
butane;2-methylbutane;1-propylpyrrolidine
CID 161374210
tetrakis(carbonofluoridic acid);tetrakis(1-propylpyrrolidine)
CID 173154701
piperidine;1-propylpiperidine
CID 67843364
1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine
CID 142420911
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
4,4-dimethyl-1-propylazocane;ethane
CID 144928952
1-hept-3-enylpiperidine
CID 71322096
propan-1-ol;2-pyrrolidin-1-ylethanol
CID 174908040

Frequently Asked Questions

What is the IUPAC name of prop-1-ene;1-propylpyrrolidine?
The IUPAC name of prop-1-ene;1-propylpyrrolidine (CID 143531885) is prop-1-ene;1-propylpyrrolidine.
What is the SMILES notation for prop-1-ene;1-propylpyrrolidine?
The canonical SMILES for prop-1-ene;1-propylpyrrolidine is C=CC.CCCN1CCCC1.
What is the InChIKey of prop-1-ene;1-propylpyrrolidine?
The InChIKey is JYHUJZVUEKAYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C3H6/c1-2-5-8-6-3-4-7-8;1-3-2/h2-7H2,1H3;3H,1H2,2H3.
What are the key properties of prop-1-ene;1-propylpyrrolidine?
prop-1-ene;1-propylpyrrolidine has a molecular weight of 155.28 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;1-propylpyrrolidine is sourced from PubChem (CID 143531885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).