ethane;1-methyl-3-(1-methylcyclopropyl)-2,5-dihydropyrrole

C11H21N — CID 91449953

IUPACethane;1-methyl-3-(1-methylcyclopropyl)-2,5-dihydropyrrole
SMILESCC.CN1CC=C(C2(C)CC2)C1
InChIInChI=1S/C9H15N.C2H6/c1-9(4-5-9)8-3-6-10(2)7-8;1-2/h3H,4-7H2,1-2H3;1-2H3
InChIKeyLCOVYCAVKRAIQF-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds1

About ethane;1-methyl-3-(1-methylcyclopropyl)-2,5-dihydropyrrole

ethane;1-methyl-3-(1-methylcyclopropyl)-2,5-dihydropyrrole (PubChem CID 91449953) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is ethane;1-methyl-3-(1-methylcyclopropyl)-2,5-dihydropyrrole.

Molecular Properties

Compound Nameethane;1-methyl-3-(1-methylcyclopropyl)-2,5-dihydropyrrole
PubChem CID91449953
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Nameethane;1-methyl-3-(1-methylcyclopropyl)-2,5-dihydropyrrole
SMILESCC.CN1CC=C(C2(C)CC2)C1
InChIInChI=1S/C9H15N.C2H6/c1-9(4-5-9)8-3-6-10(2)7-8;1-2/h3H,4-7H2,1-2H3;1-2H3
InChIKeyLCOVYCAVKRAIQF-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-tert-butyl-delta3-piperideine
CID 180571
N,N-dimethyl-2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine
CID 15657126
N,N-dimethyl-2-(1,2,3,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine
CID 15657127
1-Methyl-3-(1-methylcyclopropyl)-2,5-dihydropyrrole
CID 57580041
1-(1-Methyl-2,5-dihydropyrrol-3-yl)cyclopropane-1-carbonitrile
CID 57580046
4-Ethyl-1,3,3-trimethyl-2,6-dihydropyridine
CID 57602838
1-Butyl-3-tert-butyl-2,5-dihydropyrrole
CID 59123902
3-Tert-butyl-1-methyl-2,5-dihydropyrrole
CID 59192337
5-Ethyl-7-methylidene-5-azaspiro[2.4]heptane
CID 59200749
1-ethyl-4-(1-methylcyclopropyl)-3,6-dihydro-2H-pyridine
CID 68077919
1-ethyl-4-(2-methylbutan-2-yl)-3,6-dihydro-2H-pyridine
CID 68220855
4-(2,2-dimethylpropyl)-1-ethyl-3,6-dihydro-2H-pyridine
CID 68221225

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(1-methylcyclopropyl)-2,5-dihydropyrrole?
The IUPAC name of ethane;1-methyl-3-(1-methylcyclopropyl)-2,5-dihydropyrrole (CID 91449953) is ethane;1-methyl-3-(1-methylcyclopropyl)-2,5-dihydropyrrole.
What is the SMILES notation for ethane;1-methyl-3-(1-methylcyclopropyl)-2,5-dihydropyrrole?
The canonical SMILES for ethane;1-methyl-3-(1-methylcyclopropyl)-2,5-dihydropyrrole is CC.CN1CC=C(C2(C)CC2)C1.
What is the InChIKey of ethane;1-methyl-3-(1-methylcyclopropyl)-2,5-dihydropyrrole?
The InChIKey is LCOVYCAVKRAIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.C2H6/c1-9(4-5-9)8-3-6-10(2)7-8;1-2/h3H,4-7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-3-(1-methylcyclopropyl)-2,5-dihydropyrrole?
ethane;1-methyl-3-(1-methylcyclopropyl)-2,5-dihydropyrrole has a molecular weight of 167.30 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(1-methylcyclopropyl)-2,5-dihydropyrrole is sourced from PubChem (CID 91449953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).