3-(1-methylcyclopropyl)-2,5-dihydro-1H-pyrrole

C8H13N — CID 169077732

IUPAC3-(1-methylcyclopropyl)-2,5-dihydro-1H-pyrrole
SMILESCC1(C2=CCNC2)CC1
InChIInChI=1S/C8H13N/c1-8(3-4-8)7-2-5-9-6-7/h2,9H,3-6H2,1H3
InChIKeyADAZAQQZPYRLQH-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.32
Rot. Bonds1

About 3-(1-methylcyclopropyl)-2,5-dihydro-1H-pyrrole

3-(1-methylcyclopropyl)-2,5-dihydro-1H-pyrrole (PubChem CID 169077732) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3-(1-methylcyclopropyl)-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-(1-methylcyclopropyl)-2,5-dihydro-1H-pyrrole
PubChem CID169077732
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3-(1-methylcyclopropyl)-2,5-dihydro-1H-pyrrole
SMILESCC1(C2=CCNC2)CC1
InChIInChI=1S/C8H13N/c1-8(3-4-8)7-2-5-9-6-7/h2,9H,3-6H2,1H3
InChIKeyADAZAQQZPYRLQH-UHFFFAOYSA-N
XLogP1.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3,5-Trimethyl-1,2,4,7-tetrahydroazepine
CID 14139782
1-Methyl-3-(1-methylcyclopropyl)-2,5-dihydropyrrole
CID 57580041
3-tert-butyl-2,5-dihydro-1H-pyrrole
CID 59536703
4-(1-Methylcyclopropyl)-1,2,3,6-tetrahydropyridine
CID 68077918
Ethane;1-methyl-3-(1-methylcyclopropyl)-2,5-dihydropyrrole
CID 91449953
2-[(1S)-1-bicyclo[1.1.0]but-2-enyl]-N-methylethanamine
CID 118198731
5-Cyclopropyl-3-methyl-1,2,3,6-tetrahydropyridine
CID 123406515
3,3-dimethyl-N-propylhept-5-en-1-amine
CID 123423961
5-(1-Methylcyclopropyl)-1,2,3,6-tetrahydropyridin-2-amine
CID 123795242
2-ethyl-N-(3-methylpentyl)hex-2-en-1-amine
CID 123890404
N-[1-(1-bicyclo[2.1.0]pent-3-enyl)ethenyl]propan-1-amine
CID 134463929
4-(2-Methylbutan-2-yl)-1,2,3,6-tetrahydropyridine
CID 139546582

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclopropyl)-2,5-dihydro-1H-pyrrole?
The IUPAC name of 3-(1-methylcyclopropyl)-2,5-dihydro-1H-pyrrole (CID 169077732) is 3-(1-methylcyclopropyl)-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 3-(1-methylcyclopropyl)-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 3-(1-methylcyclopropyl)-2,5-dihydro-1H-pyrrole is CC1(C2=CCNC2)CC1.
What is the InChIKey of 3-(1-methylcyclopropyl)-2,5-dihydro-1H-pyrrole?
The InChIKey is ADAZAQQZPYRLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-8(3-4-8)7-2-5-9-6-7/h2,9H,3-6H2,1H3.
What are the key properties of 3-(1-methylcyclopropyl)-2,5-dihydro-1H-pyrrole?
3-(1-methylcyclopropyl)-2,5-dihydro-1H-pyrrole has a molecular weight of 123.20 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclopropyl)-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 169077732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).