3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole

C13H21N — CID 172575210

IUPAC3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole
SMILESC=CC1=C(C=C)C(C)(C(C)C)N(C)C1
InChIInChI=1S/C13H21N/c1-7-11-9-14(6)13(5,10(3)4)12(11)8-2/h7-8,10H,1-2,9H2,3-6H3
InChIKeyLVKIWXWCHWBUNP-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.02
Rot. Bonds3

About 3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole

3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole (PubChem CID 172575210) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole.

Molecular Properties

Compound Name3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole
PubChem CID172575210
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole
SMILESC=CC1=C(C=C)C(C)(C(C)C)N(C)C1
InChIInChI=1S/C13H21N/c1-7-11-9-14(6)13(5,10(3)4)12(11)8-2/h7-8,10H,1-2,9H2,3-6H3
InChIKeyLVKIWXWCHWBUNP-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 54034706
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CID 90805278
(2E)-2-ethenyl-N-[(Z)-hex-3-en-2-yl]-N,6-dimethylocta-2,7-dien-1-amine
CID 118616229
1,6,6-Tri(propan-2-yl)-2,5-dihydropyridine
CID 122598433
N,N,5,6,7-pentamethylocta-2,4-dien-1-amine
CID 123622566
N-(cyclopenta-1,3-dien-1-ylmethyl)-N,4-dimethylpentan-1-amine
CID 126658712
6-Ethyl-1,6-di(propan-2-yl)-2,5-dihydropyridine
CID 129065866
3-[(3Z)-4,6-dimethylhepta-1,3-dien-3-yl]-1-methyl-2,5-dihydropyrrole
CID 129238767
(2Z,6Z)-N-ethyl-N,8,9-trimethyl-4,5-dimethylidenecyclonona-2,6-dien-1-amine
CID 130444240
(4Z)-N,N,2,4-tetramethylhepta-4,6-dien-3-amine
CID 139361102
N,N-diethyl-1,6-dimethylcyclohexa-2,4-dien-1-amine
CID 141182723
N,N,2-trimethyl-3-propan-2-ylhex-4-en-3-amine
CID 141408968

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole?
The IUPAC name of 3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole (CID 172575210) is 3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole.
What is the SMILES notation for 3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole?
The canonical SMILES for 3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole is C=CC1=C(C=C)C(C)(C(C)C)N(C)C1.
What is the InChIKey of 3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole?
The InChIKey is LVKIWXWCHWBUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-7-11-9-14(6)13(5,10(3)4)12(11)8-2/h7-8,10H,1-2,9H2,3-6H3.
What are the key properties of 3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole?
3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole has a molecular weight of 191.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-1,5-dimethyl-5-propan-2-yl-2H-pyrrole is sourced from PubChem (CID 172575210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).