2-(5-ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)pyrrolidine

C15H23NO — CID 145138570

IUPAC2-(5-ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)pyrrolidine
SMILESC=CC1=C(C(=C)C)C(C2CCCN2)OCCC1
InChIInChI=1S/C15H23NO/c1-4-12-7-6-10-17-15(14(12)11(2)3)13-8-5-9-16-13/h4,13,15-16H,1-2,5-10H2,3H3
InChIKeyKXRALZJCHVEIEC-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.98
Rot. Bonds3

About 2-(5-ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)pyrrolidine

2-(5-ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)pyrrolidine (PubChem CID 145138570) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(5-ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)pyrrolidine.

Molecular Properties

Compound Name2-(5-ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)pyrrolidine
PubChem CID145138570
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(5-ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)pyrrolidine
SMILESC=CC1=C(C(=C)C)C(C2CCCN2)OCCC1
InChIInChI=1S/C15H23NO/c1-4-12-7-6-10-17-15(14(12)11(2)3)13-8-5-9-16-13/h4,13,15-16H,1-2,5-10H2,3H3
InChIKeyKXRALZJCHVEIEC-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine
CID 145138576
[(2R,3R)-2-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]pyrrolidin-3-yl] acetate
CID 70901503
2-Butyl-2-cyclopenta-1,3-dien-1-yl-1,3-oxazolidine
CID 89188897
2-[(2,6-Dimethylcyclohexa-2,4-dien-1-yl)oxymethyl]pyrrolidine
CID 123251310
2-[(Z,2E)-2-ethylidene-1-(2-methylpropoxy)pent-3-enyl]piperidine
CID 126664178
2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine
CID 129055713
1-[(2R,7S)-7-[(2E,4Z)-hepta-2,4-dien-3-yl]oxepan-2-yl]-N-methylmethanamine
CID 134408117
(1R,3Z,5E)-5-methoxy-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol
CID 139505337
2-[[(2E,4Z)-hepta-2,4-dien-3-yl]oxymethyl]pyrrolidine
CID 142125216
Ethane;6-ethenyl-4-ethyl-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),5-diene
CID 142316499
ethane;(2R)-2-[[4-[(Z,2E)-2-ethylidenehex-3-enoxy]cyclohepta-1,3,6-trien-1-yl]oxymethyl]pyrrolidine
CID 143435316
ethane;8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine
CID 143698492

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)pyrrolidine?
The IUPAC name of 2-(5-ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)pyrrolidine (CID 145138570) is 2-(5-ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)pyrrolidine.
What is the SMILES notation for 2-(5-ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)pyrrolidine?
The canonical SMILES for 2-(5-ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)pyrrolidine is C=CC1=C(C(=C)C)C(C2CCCN2)OCCC1.
What is the InChIKey of 2-(5-ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)pyrrolidine?
The InChIKey is KXRALZJCHVEIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-12-7-6-10-17-15(14(12)11(2)3)13-8-5-9-16-13/h4,13,15-16H,1-2,5-10H2,3H3.
What are the key properties of 2-(5-ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)pyrrolidine?
2-(5-ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)pyrrolidine has a molecular weight of 233.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)pyrrolidine is sourced from PubChem (CID 145138570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).