3-ethenyl-4-[(Z)-2-ethylpent-1-enyl]-1-methyl-2,5-dihydropyrrole

C14H23N — CID 166944802

IUPAC3-ethenyl-4-[(Z)-2-ethylpent-1-enyl]-1-methyl-2,5-dihydropyrrole
SMILESC=CC1=C(/C=C(/CC)CCC)CN(C)C1
InChIInChI=1S/C14H23N/c1-5-8-12(6-2)9-14-11-15(4)10-13(14)7-3/h7,9H,3,5-6,8,10-11H2,1-2,4H3/b12-9-
InChIKeyDNBWZFBMXDYJPM-XFXZXTDPSA-N
MW205.34 g/mol
LogP3.55
Rot. Bonds5

About 3-ethenyl-4-[(Z)-2-ethylpent-1-enyl]-1-methyl-2,5-dihydropyrrole

3-ethenyl-4-[(Z)-2-ethylpent-1-enyl]-1-methyl-2,5-dihydropyrrole (PubChem CID 166944802) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 3-ethenyl-4-[(Z)-2-ethylpent-1-enyl]-1-methyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name3-ethenyl-4-[(Z)-2-ethylpent-1-enyl]-1-methyl-2,5-dihydropyrrole
PubChem CID166944802
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name3-ethenyl-4-[(Z)-2-ethylpent-1-enyl]-1-methyl-2,5-dihydropyrrole
SMILESC=CC1=C(/C=C(/CC)CCC)CN(C)C1
InChIInChI=1S/C14H23N/c1-5-8-12(6-2)9-14-11-15(4)10-13(14)7-3/h7,9H,3,5-6,8,10-11H2,1-2,4H3/b12-9-
InChIKeyDNBWZFBMXDYJPM-XFXZXTDPSA-N
XLogP3.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(1E,3E)-2,3-dipropylhexa-1,3-dienyl]-4-ethenyl-1-methyl-2,5-dihydropyrrole
CID 166944767
ethane;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole
CID 143141932
5-ethenyl-1-methyl-4-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine
CID 166683546
4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridine;ethane
CID 145316380
ethane;(3E)-4-ethyl-2-methylhepta-1,3-diene
CID 168939588
1-ethenyl-2-[(Z)-2-methylbut-1-enyl]cyclohexene
CID 142010020
butane-1,1-diol;mercury(1+);prop-2-enoate
CID 174882415
(4Z)-4-ethylidenehept-1-ene
CID 12841273
6-ethyl-2,3-dimethylnona-1,5-diene
CID 123632115
butane;ethane;[(1E)-1-[(4S)-1-methyl-4-propylpyrrolidin-3-ylidene]ethyl] acetate;pentane;propane;prop-1-ene
CID 171520755
4,5-bis(ethenyl)-N-(ethoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide;molecular hydrogen
CID 171659129
3-ethenyl-1,4-dimethyl-2H-pyrrol-5-one
CID 91071913

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-[(Z)-2-ethylpent-1-enyl]-1-methyl-2,5-dihydropyrrole?
The IUPAC name of 3-ethenyl-4-[(Z)-2-ethylpent-1-enyl]-1-methyl-2,5-dihydropyrrole (CID 166944802) is 3-ethenyl-4-[(Z)-2-ethylpent-1-enyl]-1-methyl-2,5-dihydropyrrole.
What is the SMILES notation for 3-ethenyl-4-[(Z)-2-ethylpent-1-enyl]-1-methyl-2,5-dihydropyrrole?
The canonical SMILES for 3-ethenyl-4-[(Z)-2-ethylpent-1-enyl]-1-methyl-2,5-dihydropyrrole is C=CC1=C(/C=C(/CC)CCC)CN(C)C1.
What is the InChIKey of 3-ethenyl-4-[(Z)-2-ethylpent-1-enyl]-1-methyl-2,5-dihydropyrrole?
The InChIKey is DNBWZFBMXDYJPM-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H23N/c1-5-8-12(6-2)9-14-11-15(4)10-13(14)7-3/h7,9H,3,5-6,8,10-11H2,1-2,4H3/b12-9-.
What are the key properties of 3-ethenyl-4-[(Z)-2-ethylpent-1-enyl]-1-methyl-2,5-dihydropyrrole?
3-ethenyl-4-[(Z)-2-ethylpent-1-enyl]-1-methyl-2,5-dihydropyrrole has a molecular weight of 205.34 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-[(Z)-2-ethylpent-1-enyl]-1-methyl-2,5-dihydropyrrole is sourced from PubChem (CID 166944802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).