4-hex-5-enoxy-2-methylpyrrolidine

C11H21NO — CID 123373294

IUPAC4-hex-5-enoxy-2-methylpyrrolidine
SMILESC=CCCCCOC1CNC(C)C1
InChIInChI=1S/C11H21NO/c1-3-4-5-6-7-13-11-8-10(2)12-9-11/h3,10-12H,1,4-9H2,2H3
InChIKeyDVNBURBWVUIYBP-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds6

About 4-hex-5-enoxy-2-methylpyrrolidine

4-hex-5-enoxy-2-methylpyrrolidine (PubChem CID 123373294) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-hex-5-enoxy-2-methylpyrrolidine.

Molecular Properties

Compound Name4-hex-5-enoxy-2-methylpyrrolidine
PubChem CID123373294
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-hex-5-enoxy-2-methylpyrrolidine
SMILESC=CCCCCOC1CNC(C)C1
InChIInChI=1S/C11H21NO/c1-3-4-5-6-7-13-11-8-10(2)12-9-11/h3,10-12H,1,4-9H2,2H3
InChIKeyDVNBURBWVUIYBP-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-hex-5-enoxy-2-methylpyrrolidine 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

(2S)-2-(oct-7-enoxymethyl)pyrrolidine
CID 145946658
3-Pent-4-enoxypyrrolidine
CID 53409327
N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
CID 62065418
2-(Pent-4-enoxymethyl)pyrrolidine
CID 64313140
(3S)-3-pent-4-enoxypyrrolidine
CID 68432199
(3R)-3-pent-4-enoxypyrrolidine
CID 70253325
N-(oxolan-2-ylmethyl)pent-4-en-2-amine
CID 116039434
N-(oxolan-2-ylmethyl)but-3-en-2-amine
CID 116145850
(2S)-2-(1-ethoxyethenyl)pyrrolidine
CID 126635209
(2S)-N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 130367671
(2R)-N-[[(2R)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 130367714
2-(2-Methoxyhex-5-enyl)pyrrolidine
CID 141969107

Frequently Asked Questions

What is the IUPAC name of 4-hex-5-enoxy-2-methylpyrrolidine?
The IUPAC name of 4-hex-5-enoxy-2-methylpyrrolidine (CID 123373294) is 4-hex-5-enoxy-2-methylpyrrolidine.
What is the SMILES notation for 4-hex-5-enoxy-2-methylpyrrolidine?
The canonical SMILES for 4-hex-5-enoxy-2-methylpyrrolidine is C=CCCCCOC1CNC(C)C1.
What is the InChIKey of 4-hex-5-enoxy-2-methylpyrrolidine?
The InChIKey is DVNBURBWVUIYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-5-6-7-13-11-8-10(2)12-9-11/h3,10-12H,1,4-9H2,2H3.
What are the key properties of 4-hex-5-enoxy-2-methylpyrrolidine?
4-hex-5-enoxy-2-methylpyrrolidine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hex-5-enoxy-2-methylpyrrolidine is sourced from PubChem (CID 123373294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).