5-methyl-3-propan-2-yl-2,3-dihydro-1H-pyrrole

C8H15N — CID 138707772

IUPAC5-methyl-3-propan-2-yl-2,3-dihydro-1H-pyrrole
SMILESCC1=CC(C(C)C)CN1
InChIInChI=1S/C8H15N/c1-6(2)8-4-7(3)9-5-8/h4,6,8-9H,5H2,1-3H3
InChIKeyCRDMXPHJDKOGQR-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.77
Rot. Bonds1

About 5-methyl-3-propan-2-yl-2,3-dihydro-1H-pyrrole

5-methyl-3-propan-2-yl-2,3-dihydro-1H-pyrrole (PubChem CID 138707772) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-methyl-3-propan-2-yl-2,3-dihydro-1H-pyrrole
PubChem CID138707772
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name5-methyl-3-propan-2-yl-2,3-dihydro-1H-pyrrole
SMILESCC1=CC(C(C)C)CN1
InChIInChI=1S/C8H15N/c1-6(2)8-4-7(3)9-5-8/h4,6,8-9H,5H2,1-3H3
InChIKeyCRDMXPHJDKOGQR-UHFFFAOYSA-N
XLogP1.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-yl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-methyl-3-propan-2-yl-2,3-dihydro-1H-pyrrole (CID 138707772) is 5-methyl-3-propan-2-yl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-methyl-3-propan-2-yl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-methyl-3-propan-2-yl-2,3-dihydro-1H-pyrrole is CC1=CC(C(C)C)CN1.
What is the InChIKey of 5-methyl-3-propan-2-yl-2,3-dihydro-1H-pyrrole?
The InChIKey is CRDMXPHJDKOGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6(2)8-4-7(3)9-5-8/h4,6,8-9H,5H2,1-3H3.
What are the key properties of 5-methyl-3-propan-2-yl-2,3-dihydro-1H-pyrrole?
5-methyl-3-propan-2-yl-2,3-dihydro-1H-pyrrole has a molecular weight of 125.21 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-yl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 138707772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).