1-but-3-en-2-yl-2,3-dimethylpyrrolidine

C10H19N — CID 130639146

IUPAC1-but-3-en-2-yl-2,3-dimethylpyrrolidine
SMILESC=CC(C)N1CCC(C)C1C
InChIInChI=1S/C10H19N/c1-5-9(3)11-7-6-8(2)10(11)4/h5,8-10H,1,6-7H2,2-4H3
InChIKeyZHNVCRNPOBRQQC-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.29
Rot. Bonds2

About 1-but-3-en-2-yl-2,3-dimethylpyrrolidine

1-but-3-en-2-yl-2,3-dimethylpyrrolidine (PubChem CID 130639146) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-but-3-en-2-yl-2,3-dimethylpyrrolidine.

Molecular Properties

Compound Name1-but-3-en-2-yl-2,3-dimethylpyrrolidine
PubChem CID130639146
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-but-3-en-2-yl-2,3-dimethylpyrrolidine
SMILESC=CC(C)N1CCC(C)C1C
InChIInChI=1S/C10H19N/c1-5-9(3)11-7-6-8(2)10(11)4/h5,8-10H,1,6-7H2,2-4H3
InChIKeyZHNVCRNPOBRQQC-UHFFFAOYSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1-but-3-en-2-yl-4-methylpiperidin-2-yl)methanamine
CID 103442149
2-(2,3-dimethylpiperidin-1-yl)but-3-enoic acid
CID 130492263
1-but-3-en-2-ylpiperidine-2-carbaldehyde
CID 62654784
1-but-3-en-2-yl-4-methylazepane
CID 131042080
1-but-3-en-2-yl-2,5-dimethylpiperazine
CID 64980427
(1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine
CID 80505747
(2S)-1,2,3-trimethylpyrrolidine
CID 142283455
1-but-3-en-2-ylpiperidine-4-carbonitrile
CID 62075341
N-prop-2-enyl-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
CID 114597222
4-(2,3-dimethylpiperidin-1-yl)pentan-2-amine
CID 64707838
1-but-3-en-2-yl-3-ethylpyrrolidine
CID 130978482
1-(1-but-3-en-2-ylpyrrolidin-3-yl)ethanol
CID 112628254

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-2,3-dimethylpyrrolidine?
The IUPAC name of 1-but-3-en-2-yl-2,3-dimethylpyrrolidine (CID 130639146) is 1-but-3-en-2-yl-2,3-dimethylpyrrolidine.
What is the SMILES notation for 1-but-3-en-2-yl-2,3-dimethylpyrrolidine?
The canonical SMILES for 1-but-3-en-2-yl-2,3-dimethylpyrrolidine is C=CC(C)N1CCC(C)C1C.
What is the InChIKey of 1-but-3-en-2-yl-2,3-dimethylpyrrolidine?
The InChIKey is ZHNVCRNPOBRQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-5-9(3)11-7-6-8(2)10(11)4/h5,8-10H,1,6-7H2,2-4H3.
What are the key properties of 1-but-3-en-2-yl-2,3-dimethylpyrrolidine?
1-but-3-en-2-yl-2,3-dimethylpyrrolidine has a molecular weight of 153.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-2,3-dimethylpyrrolidine is sourced from PubChem (CID 130639146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).