1-methyl-2-[(E)-3-methylpent-1-enyl]pyrrole

C11H17N — CID 146213003

IUPAC1-methyl-2-[(E)-3-methylpent-1-enyl]pyrrole
SMILESCCC(C)/C=C/c1cccn1C
InChIInChI=1S/C11H17N/c1-4-10(2)7-8-11-6-5-9-12(11)3/h5-10H,4H2,1-3H3/b8-7+
InChIKeyHIDZOKCIVFLKPU-BQYQJAHWSA-N
MW163.26 g/mol
LogP3.08
Rot. Bonds3

About 1-methyl-2-[(E)-3-methylpent-1-enyl]pyrrole

1-methyl-2-[(E)-3-methylpent-1-enyl]pyrrole (PubChem CID 146213003) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-methyl-2-[(E)-3-methylpent-1-enyl]pyrrole.

Molecular Properties

Compound Name1-methyl-2-[(E)-3-methylpent-1-enyl]pyrrole
PubChem CID146213003
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-methyl-2-[(E)-3-methylpent-1-enyl]pyrrole
SMILESCCC(C)/C=C/c1cccn1C
InChIInChI=1S/C11H17N/c1-4-10(2)7-8-11-6-5-9-12(11)3/h5-10H,4H2,1-3H3/b8-7+
InChIKeyHIDZOKCIVFLKPU-BQYQJAHWSA-N
XLogP3.08
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-methylpyrrol-2-yl)prop-2-enal
CID 54354656
(E)-N,N-dimethyl-3-(1-methylpyrrol-2-yl)prop-2-en-1-amine
CID 15578256
1-methyl-2-[(Z)-2-[2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]ethenyl]pyrrole
CID 23242926
2-[(E)-3,3-dimethylbut-1-enyl]-1-methylpyrrole
CID 146324112
N-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]methanimine
CID 146637605
1-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methylideneamino]methanimine
CID 611756
1-methylpyrrole-2-carbaldehyde;hydrobromide
CID 175223674
2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenol
CID 23028027
(E)-3-(1-methylpyrrol-2-yl)prop-2-enoate
CID 7129065
3-ethyl-1,2,4-trimethyl-5-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrrole
CID 90349782
(2E,4E,6E)-2-cyano-7-(1-methylpyrrol-2-yl)hepta-2,4,6-trienoic acid
CID 19772780
(E)-3-(1-methylpyrrol-2-yl)prop-2-enehydrazide
CID 69408064

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(E)-3-methylpent-1-enyl]pyrrole?
The IUPAC name of 1-methyl-2-[(E)-3-methylpent-1-enyl]pyrrole (CID 146213003) is 1-methyl-2-[(E)-3-methylpent-1-enyl]pyrrole.
What is the SMILES notation for 1-methyl-2-[(E)-3-methylpent-1-enyl]pyrrole?
The canonical SMILES for 1-methyl-2-[(E)-3-methylpent-1-enyl]pyrrole is CCC(C)/C=C/c1cccn1C.
What is the InChIKey of 1-methyl-2-[(E)-3-methylpent-1-enyl]pyrrole?
The InChIKey is HIDZOKCIVFLKPU-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H17N/c1-4-10(2)7-8-11-6-5-9-12(11)3/h5-10H,4H2,1-3H3/b8-7+.
What are the key properties of 1-methyl-2-[(E)-3-methylpent-1-enyl]pyrrole?
1-methyl-2-[(E)-3-methylpent-1-enyl]pyrrole has a molecular weight of 163.26 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(E)-3-methylpent-1-enyl]pyrrole is sourced from PubChem (CID 146213003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).