3-[(Z)-1-(oxan-4-yl)prop-1-en-2-yl]pyrrolidine

C12H21NO — CID 131430811

IUPAC3-[(Z)-1-(oxan-4-yl)prop-1-en-2-yl]pyrrolidine
SMILESC/C(=C/C1CCOCC1)C1CCNC1
InChIInChI=1S/C12H21NO/c1-10(12-2-5-13-9-12)8-11-3-6-14-7-4-11/h8,11-13H,2-7,9H2,1H3/b10-8-
InChIKeyDXIMCNIOZUMZOP-NTMALXAHSA-N
MW195.31 g/mol
LogP1.97
Rot. Bonds2

About 3-[(Z)-1-(oxan-4-yl)prop-1-en-2-yl]pyrrolidine

3-[(Z)-1-(oxan-4-yl)prop-1-en-2-yl]pyrrolidine (PubChem CID 131430811) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-[(Z)-1-(oxan-4-yl)prop-1-en-2-yl]pyrrolidine.

Molecular Properties

Compound Name3-[(Z)-1-(oxan-4-yl)prop-1-en-2-yl]pyrrolidine
PubChem CID131430811
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-[(Z)-1-(oxan-4-yl)prop-1-en-2-yl]pyrrolidine
SMILESC/C(=C/C1CCOCC1)C1CCNC1
InChIInChI=1S/C12H21NO/c1-10(12-2-5-13-9-12)8-11-3-6-14-7-4-11/h8,11-13H,2-7,9H2,1H3/b10-8-
InChIKeyDXIMCNIOZUMZOP-NTMALXAHSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-Difluorohepta-1,3,5-trien-2-yl)-1-(oxan-4-yl)pyrrolidin-1-ium
CID 163746664
4-methyl-N-[4-(oxan-4-ylidene)butyl]hexan-2-amine
CID 123759937
(E)-N-(oxan-4-ylmethyl)oct-3-en-4-amine
CID 156288617
(5R)-6-(1-ethoxyprop-1-enyl)-3-azabicyclo[3.1.0]hexane
CID 173661661
2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62387139
N-ethyl-3-methyl-1-(oxolan-3-yl)but-2-en-1-amine
CID 79177737
3-methyl-1-(oxolan-3-yl)-N-propylbut-2-en-1-amine
CID 79177960
N,3-dimethyl-1-(oxan-4-yl)but-2-en-1-amine
CID 79178400
N-ethyl-3-methyl-1-(oxan-4-yl)but-2-en-1-amine
CID 79178613
3-methyl-1-(oxan-4-yl)-N-propylbut-2-en-1-amine
CID 79178833
2-(oxan-4-ylmethylidene)-N-propan-2-ylbutan-1-amine
CID 79328662
N-tert-butyl-2-(oxan-4-ylmethylidene)butan-1-amine
CID 79328684

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-(oxan-4-yl)prop-1-en-2-yl]pyrrolidine?
The IUPAC name of 3-[(Z)-1-(oxan-4-yl)prop-1-en-2-yl]pyrrolidine (CID 131430811) is 3-[(Z)-1-(oxan-4-yl)prop-1-en-2-yl]pyrrolidine.
What is the SMILES notation for 3-[(Z)-1-(oxan-4-yl)prop-1-en-2-yl]pyrrolidine?
The canonical SMILES for 3-[(Z)-1-(oxan-4-yl)prop-1-en-2-yl]pyrrolidine is C/C(=C/C1CCOCC1)C1CCNC1.
What is the InChIKey of 3-[(Z)-1-(oxan-4-yl)prop-1-en-2-yl]pyrrolidine?
The InChIKey is DXIMCNIOZUMZOP-NTMALXAHSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(12-2-5-13-9-12)8-11-3-6-14-7-4-11/h8,11-13H,2-7,9H2,1H3/b10-8-.
What are the key properties of 3-[(Z)-1-(oxan-4-yl)prop-1-en-2-yl]pyrrolidine?
3-[(Z)-1-(oxan-4-yl)prop-1-en-2-yl]pyrrolidine has a molecular weight of 195.31 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-(oxan-4-yl)prop-1-en-2-yl]pyrrolidine is sourced from PubChem (CID 131430811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).