ethane;3-ethenyl-2-(3-methylbut-1-en-2-yl)-1H-pyrrole

C13H21N — CID 171807389

IUPACethane;3-ethenyl-2-(3-methylbut-1-en-2-yl)-1H-pyrrole
SMILESC=Cc1cc[nH]c1C(=C)C(C)C.CC
InChIInChI=1S/C11H15N.C2H6/c1-5-10-6-7-12-11(10)9(4)8(2)3;1-2/h5-8,12H,1,4H2,2-3H3;1-2H3
InChIKeyBZPWGKADYFAMGR-UHFFFAOYSA-N
MW191.32 g/mol
LogP4.35
Rot. Bonds3

About ethane;3-ethenyl-2-(3-methylbut-1-en-2-yl)-1H-pyrrole

ethane;3-ethenyl-2-(3-methylbut-1-en-2-yl)-1H-pyrrole (PubChem CID 171807389) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is ethane;3-ethenyl-2-(3-methylbut-1-en-2-yl)-1H-pyrrole.

Molecular Properties

Compound Nameethane;3-ethenyl-2-(3-methylbut-1-en-2-yl)-1H-pyrrole
PubChem CID171807389
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Nameethane;3-ethenyl-2-(3-methylbut-1-en-2-yl)-1H-pyrrole
SMILESC=Cc1cc[nH]c1C(=C)C(C)C.CC
InChIInChI=1S/C11H15N.C2H6/c1-5-10-6-7-12-11(10)9(4)8(2)3;1-2/h5-8,12H,1,4H2,2-3H3;1-2H3
InChIKeyBZPWGKADYFAMGR-UHFFFAOYSA-N
XLogP4.35
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-(1-bromoprop-1-enyl)-3-ethenyl-1H-pyrrole
CID 90462452
ethane;3-ethenyl-1H-pyrrol-2-amine
CID 178089046
3-ethenyl-2-propyl-1H-pyrrole
CID 143902050
N-(3-ethenyl-1H-pyrrol-2-yl)methanimine
CID 142590840
N-[2-ethenyl-5-(3-methylbut-1-en-2-yl)phenyl]sulfanylmethanamine
CID 166773643
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CID 22617263
2-ethenyl-3-[(3Z)-2-methylhexa-3,5-dien-3-yl]-1H-pyrrole
CID 154929979
2-(3-ethenyl-1H-pyrrol-2-yl)ethenyl-methylphosphane
CID 123665873
4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 11644053
3-[(Z)-4-fluoro-3-methylidenepent-1-enyl]-2-methyl-1H-pyrrole
CID 153376226
2-ethenyl-3-ethyl-1H-pyrrole
CID 144842515
N-(3-ethenyl-1H-pyrrol-2-yl)propan-1-imine
CID 174011056

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenyl-2-(3-methylbut-1-en-2-yl)-1H-pyrrole?
The IUPAC name of ethane;3-ethenyl-2-(3-methylbut-1-en-2-yl)-1H-pyrrole (CID 171807389) is ethane;3-ethenyl-2-(3-methylbut-1-en-2-yl)-1H-pyrrole.
What is the SMILES notation for ethane;3-ethenyl-2-(3-methylbut-1-en-2-yl)-1H-pyrrole?
The canonical SMILES for ethane;3-ethenyl-2-(3-methylbut-1-en-2-yl)-1H-pyrrole is C=Cc1cc[nH]c1C(=C)C(C)C.CC.
What is the InChIKey of ethane;3-ethenyl-2-(3-methylbut-1-en-2-yl)-1H-pyrrole?
The InChIKey is BZPWGKADYFAMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-5-10-6-7-12-11(10)9(4)8(2)3;1-2/h5-8,12H,1,4H2,2-3H3;1-2H3.
What are the key properties of ethane;3-ethenyl-2-(3-methylbut-1-en-2-yl)-1H-pyrrole?
ethane;3-ethenyl-2-(3-methylbut-1-en-2-yl)-1H-pyrrole has a molecular weight of 191.32 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenyl-2-(3-methylbut-1-en-2-yl)-1H-pyrrole is sourced from PubChem (CID 171807389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).