5-(2-methylpropyl)-3,4-dihydro-2H-pyrrole

C8H15N — CID 58280054

IUPAC5-(2-methylpropyl)-3,4-dihydro-2H-pyrrole
SMILESCC(C)CC1=NCCC1
InChIInChI=1S/C8H15N/c1-7(2)6-8-4-3-5-9-8/h7H,3-6H2,1-2H3
InChIKeyHHQRWQQRDCVPQH-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.27
Rot. Bonds2

About 5-(2-methylpropyl)-3,4-dihydro-2H-pyrrole

5-(2-methylpropyl)-3,4-dihydro-2H-pyrrole (PubChem CID 58280054) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2-methylpropyl)-3,4-dihydro-2H-pyrrole
PubChem CID58280054
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name5-(2-methylpropyl)-3,4-dihydro-2H-pyrrole
SMILESCC(C)CC1=NCCC1
InChIInChI=1S/C8H15N/c1-7(2)6-8-4-3-5-9-8/h7H,3-6H2,1-2H3
InChIKeyHHQRWQQRDCVPQH-UHFFFAOYSA-N
XLogP2.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butyl-3,4-dihydro-2H-pyrrole
CID 2777143
3,5-dimethyl-3,4-dihydro-2H-pyrrole
CID 5323987
5-Cyclopropyl-3,4-dihydro-2H-pyrrole
CID 10606711
2-Isopropyl-1-pyrroline
CID 11126203
6-(Propan-2-yl)-2,3,4,5-tetrahydropyridine
CID 22956980
6-Butan-2-yl-2,3,4,5-tetrahydropyridine
CID 134926218
(4S)-5-methyl-4-tridecyl-3,4-dihydro-2H-pyrrole
CID 163023477
5-ethyl-4-fluoro-2-propan-2-yl-3,4-dihydro-2H-pyrrole
CID 124002923
5-Fluoro-6-propan-2-yl-2,3,4,5-tetrahydropyridine
CID 172343921
(3R)-3,5-dimethyl-3,4-dihydro-2H-pyrrole
CID 15939097
5-Ethyl-3,3-dimethyl-2,4-dihydropyrrole
CID 15652690
4-methyl-5-propan-2-yl-3,4-dihydro-2H-pyrrole
CID 45092476

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2-methylpropyl)-3,4-dihydro-2H-pyrrole (CID 58280054) is 5-(2-methylpropyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2-methylpropyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2-methylpropyl)-3,4-dihydro-2H-pyrrole is CC(C)CC1=NCCC1.
What is the InChIKey of 5-(2-methylpropyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is HHQRWQQRDCVPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7(2)6-8-4-3-5-9-8/h7H,3-6H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-3,4-dihydro-2H-pyrrole?
5-(2-methylpropyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 125.21 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58280054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).