3-methyl-1-propan-2-yl-2,3-dihydropyrrole

C8H15N — CID 66908778

IUPAC3-methyl-1-propan-2-yl-2,3-dihydropyrrole
SMILESCC1C=CN(C(C)C)C1
InChIInChI=1S/C8H15N/c1-7(2)9-5-4-8(3)6-9/h4-5,7-8H,6H2,1-3H3
InChIKeySOHAUDCTLHWOGO-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.86
Rot. Bonds1

About 3-methyl-1-propan-2-yl-2,3-dihydropyrrole

3-methyl-1-propan-2-yl-2,3-dihydropyrrole (PubChem CID 66908778) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-2,3-dihydropyrrole.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-2,3-dihydropyrrole
PubChem CID66908778
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-methyl-1-propan-2-yl-2,3-dihydropyrrole
SMILESCC1C=CN(C(C)C)C1
InChIInChI=1S/C8H15N/c1-7(2)9-5-4-8(3)6-9/h4-5,7-8H,6H2,1-3H3
InChIKeySOHAUDCTLHWOGO-UHFFFAOYSA-N
XLogP1.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-2,3-dihydropyrrole?
The IUPAC name of 3-methyl-1-propan-2-yl-2,3-dihydropyrrole (CID 66908778) is 3-methyl-1-propan-2-yl-2,3-dihydropyrrole.
What is the SMILES notation for 3-methyl-1-propan-2-yl-2,3-dihydropyrrole?
The canonical SMILES for 3-methyl-1-propan-2-yl-2,3-dihydropyrrole is CC1C=CN(C(C)C)C1.
What is the InChIKey of 3-methyl-1-propan-2-yl-2,3-dihydropyrrole?
The InChIKey is SOHAUDCTLHWOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7(2)9-5-4-8(3)6-9/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-yl-2,3-dihydropyrrole?
3-methyl-1-propan-2-yl-2,3-dihydropyrrole has a molecular weight of 125.21 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-2,3-dihydropyrrole is sourced from PubChem (CID 66908778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).