4,5-dimethyl-3-propan-2-yl-2H-pyrrole

C9H15N — CID 157213950

IUPAC4,5-dimethyl-3-propan-2-yl-2H-pyrrole
SMILESCC1=NCC(C(C)C)=C1C
InChIInChI=1S/C9H15N/c1-6(2)9-5-10-8(4)7(9)3/h6H,5H2,1-4H3
InChIKeyLZONKVJMVLRCSR-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds1

About 4,5-dimethyl-3-propan-2-yl-2H-pyrrole

4,5-dimethyl-3-propan-2-yl-2H-pyrrole (PubChem CID 157213950) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4,5-dimethyl-3-propan-2-yl-2H-pyrrole.

Molecular Properties

Compound Name4,5-dimethyl-3-propan-2-yl-2H-pyrrole
PubChem CID157213950
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4,5-dimethyl-3-propan-2-yl-2H-pyrrole
SMILESCC1=NCC(C(C)C)=C1C
InChIInChI=1S/C9H15N/c1-6(2)9-5-10-8(4)7(9)3/h6H,5H2,1-4H3
InChIKeyLZONKVJMVLRCSR-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methyl-4-(propan-2-ylidene)-3,4-dihydro-2H-pyrrole
CID 15581274
2,2,3,4,5-Pentamethylpyrrole
CID 301931
3,4,5-trimethyl-2H-pyrrole
CID 12554796
5-Methyl-3-propan-2-ylidene-2,4-dihydropyrrole
CID 13017224
2,3,4,5-tetramethyl-2H-pyrrole
CID 18508458
1,3,4,5-tetramethyl-2H-pyrrol-1-ium
CID 21303742
3,4-di(propan-2-yl)-2H-pyrrole
CID 22891106
4-methyl-3-propan-2-yl-2H-pyrrole
CID 57904044
3-methyl-5-propan-2-yl-2H-pyrrole
CID 58431822
carbanide;meitnerium;2,3,4,5-tetramethyl-2H-pyrrole
CID 59085075
3,5-di(propan-2-yl)-2H-pyrrole
CID 59519975
3,5-dimethyl-4-propan-2-yl-2H-pyrrole
CID 59693681

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-propan-2-yl-2H-pyrrole?
The IUPAC name of 4,5-dimethyl-3-propan-2-yl-2H-pyrrole (CID 157213950) is 4,5-dimethyl-3-propan-2-yl-2H-pyrrole.
What is the SMILES notation for 4,5-dimethyl-3-propan-2-yl-2H-pyrrole?
The canonical SMILES for 4,5-dimethyl-3-propan-2-yl-2H-pyrrole is CC1=NCC(C(C)C)=C1C.
What is the InChIKey of 4,5-dimethyl-3-propan-2-yl-2H-pyrrole?
The InChIKey is LZONKVJMVLRCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-6(2)9-5-10-8(4)7(9)3/h6H,5H2,1-4H3.
What are the key properties of 4,5-dimethyl-3-propan-2-yl-2H-pyrrole?
4,5-dimethyl-3-propan-2-yl-2H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-propan-2-yl-2H-pyrrole is sourced from PubChem (CID 157213950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).