ethane;2-methyl-3H-pyrrole

C7H13N — CID 91120643

IUPACethane;2-methyl-3H-pyrrole
SMILESCC.CC1=NC=CC1
InChIInChI=1S/C5H7N.C2H6/c1-5-3-2-4-6-5;1-2/h2,4H,3H2,1H3;1-2H3
InChIKeyMYYWVGBYZLMETF-UHFFFAOYSA-N
MW111.19 g/mol
LogP2.39
Rot. Bonds

About ethane;2-methyl-3H-pyrrole

ethane;2-methyl-3H-pyrrole (PubChem CID 91120643) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is ethane;2-methyl-3H-pyrrole.

Molecular Properties

Compound Nameethane;2-methyl-3H-pyrrole
PubChem CID91120643
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Nameethane;2-methyl-3H-pyrrole
SMILESCC.CC1=NC=CC1
InChIInChI=1S/C5H7N.C2H6/c1-5-3-2-4-6-5;1-2/h2,4H,3H2,1H3;1-2H3
InChIKeyMYYWVGBYZLMETF-UHFFFAOYSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methylpent-4-en-2-imine
CID 91448417
3-Fluoro-2-methyl-3,4-dihydropyridine
CID 89117465
4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine
CID 146342859
2-[(Z)-2-fluoroprop-1-enyl]-3H-pyrrole
CID 170447003
3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine
CID 171815544
2-Ethyl-3-fluoro-3,4-dihydropyridine
CID 142996668
N-[(Z)-but-1-enyl]-1-fluorobutan-2-imine
CID 142996705
N-[(Z)-prop-1-enyl]butan-2-imine
CID 11126202
2-Methyl-3,4-dihydropyridine
CID 14979252
2-Ethyl-3,4-dihydropyridine
CID 14979253
2,3-dimethyl-3H-pyrrole
CID 17769177
2-propyl-3H-pyrrole
CID 20586212

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3H-pyrrole?
The IUPAC name of ethane;2-methyl-3H-pyrrole (CID 91120643) is ethane;2-methyl-3H-pyrrole.
What is the SMILES notation for ethane;2-methyl-3H-pyrrole?
The canonical SMILES for ethane;2-methyl-3H-pyrrole is CC.CC1=NC=CC1.
What is the InChIKey of ethane;2-methyl-3H-pyrrole?
The InChIKey is MYYWVGBYZLMETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C2H6/c1-5-3-2-4-6-5;1-2/h2,4H,3H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-3H-pyrrole?
ethane;2-methyl-3H-pyrrole has a molecular weight of 111.19 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3H-pyrrole is sourced from PubChem (CID 91120643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).