3,4-bis(ethenyl)-2-methoxy-N-methylcyclopent-3-en-1-amine

C11H17NO — CID 154687410

IUPAC3,4-bis(ethenyl)-2-methoxy-N-methylcyclopent-3-en-1-amine
SMILESC=CC1=C(C=C)C(OC)C(NC)C1
InChIInChI=1S/C11H17NO/c1-5-8-7-10(12-3)11(13-4)9(8)6-2/h5-6,10-12H,1-2,7H2,3-4H3
InChIKeyXCAQSDHGHXTABQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.66
Rot. Bonds4

About 3,4-bis(ethenyl)-2-methoxy-N-methylcyclopent-3-en-1-amine

3,4-bis(ethenyl)-2-methoxy-N-methylcyclopent-3-en-1-amine (PubChem CID 154687410) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-2-methoxy-N-methylcyclopent-3-en-1-amine.

Molecular Properties

Compound Name3,4-bis(ethenyl)-2-methoxy-N-methylcyclopent-3-en-1-amine
PubChem CID154687410
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3,4-bis(ethenyl)-2-methoxy-N-methylcyclopent-3-en-1-amine
SMILESC=CC1=C(C=C)C(OC)C(NC)C1
InChIInChI=1S/C11H17NO/c1-5-8-7-10(12-3)11(13-4)9(8)6-2/h5-6,10-12H,1-2,7H2,3-4H3
InChIKeyXCAQSDHGHXTABQ-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.66
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
2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine
CID 129055713
ethane;(4E)-4-ethenyl-3-ethoxy-N-ethylhepta-4,6-dien-2-amine
CID 142183657
3-(Cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine
CID 143260495
2-[Cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine
CID 144549752
2-[3,4-Bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine;ethane
CID 145138497
2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine
CID 145138513
N-[(5-ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)methyl]propan-1-amine
CID 145138564
2-(5-Ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)pyrrolidine
CID 145138570
N-[[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine
CID 145138582
3,4-Bis(ethenyl)-2-methoxycyclopent-3-en-1-amine
CID 154687239
(2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane
CID 177009350

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-2-methoxy-N-methylcyclopent-3-en-1-amine?
The IUPAC name of 3,4-bis(ethenyl)-2-methoxy-N-methylcyclopent-3-en-1-amine (CID 154687410) is 3,4-bis(ethenyl)-2-methoxy-N-methylcyclopent-3-en-1-amine.
What is the SMILES notation for 3,4-bis(ethenyl)-2-methoxy-N-methylcyclopent-3-en-1-amine?
The canonical SMILES for 3,4-bis(ethenyl)-2-methoxy-N-methylcyclopent-3-en-1-amine is C=CC1=C(C=C)C(OC)C(NC)C1.
What is the InChIKey of 3,4-bis(ethenyl)-2-methoxy-N-methylcyclopent-3-en-1-amine?
The InChIKey is XCAQSDHGHXTABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-8-7-10(12-3)11(13-4)9(8)6-2/h5-6,10-12H,1-2,7H2,3-4H3.
What are the key properties of 3,4-bis(ethenyl)-2-methoxy-N-methylcyclopent-3-en-1-amine?
3,4-bis(ethenyl)-2-methoxy-N-methylcyclopent-3-en-1-amine has a molecular weight of 179.26 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-2-methoxy-N-methylcyclopent-3-en-1-amine is sourced from PubChem (CID 154687410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).