ethane;4-methyl-2,3-dihydro-1H-pyrrole

C7H15N — CID 143486257

IUPACethane;4-methyl-2,3-dihydro-1H-pyrrole
SMILESCC.CC1=CNCC1
InChIInChI=1S/C5H9N.C2H6/c1-5-2-3-6-4-5;1-2/h4,6H,2-3H2,1H3;1-2H3
InChIKeyMZGHLSIENPXOHX-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.91
Rot. Bonds

About ethane;4-methyl-2,3-dihydro-1H-pyrrole

ethane;4-methyl-2,3-dihydro-1H-pyrrole (PubChem CID 143486257) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is ethane;4-methyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Nameethane;4-methyl-2,3-dihydro-1H-pyrrole
PubChem CID143486257
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Nameethane;4-methyl-2,3-dihydro-1H-pyrrole
SMILESCC.CC1=CNCC1
InChIInChI=1S/C5H9N.C2H6/c1-5-2-3-6-4-5;1-2/h4,6H,2-3H2,1H3;1-2H3
InChIKeyMZGHLSIENPXOHX-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;4-methyl-2,3-dihydro-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-methylpropenylamine
CID 12345756
5-Methyltetrahydropyridine
CID 21721295
4-methyl-2,3-dihydro-1H-pyrrole
CID 23323187
4-(fluoromethyl)-2,3-dihydro-1H-pyrrole
CID 89014784
3-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
CID 146769063
N,3-Dimethylbut-3-en-1-amine
CID 13212923
N-(2-methylprop-1-enyl)butan-1-amine
CID 13794597
2-methyl-N-propylprop-1-en-1-amine
CID 19883128
2,4-dimethyl-2,3-dihydro-1H-pyrrole
CID 20227741
4-ethyl-2,3-dihydro-1H-pyrrole
CID 21411195
(1E)-N,N-dimethyl-1-pyrrolidin-3-ylidenemethanamine
CID 23053107
N,N-dimethyl-1-pyrrolidin-3-ylidenemethanamine
CID 54201813

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of ethane;4-methyl-2,3-dihydro-1H-pyrrole (CID 143486257) is ethane;4-methyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for ethane;4-methyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for ethane;4-methyl-2,3-dihydro-1H-pyrrole is CC.CC1=CNCC1.
What is the InChIKey of ethane;4-methyl-2,3-dihydro-1H-pyrrole?
The InChIKey is MZGHLSIENPXOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.C2H6/c1-5-2-3-6-4-5;1-2/h4,6H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-2,3-dihydro-1H-pyrrole?
ethane;4-methyl-2,3-dihydro-1H-pyrrole has a molecular weight of 113.20 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 143486257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).