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

C9H17N — CID 90978080

IUPAC4,5-dimethyl-2-propan-2-yl-3,4-dihydro-2H-pyrrole
SMILESCC1=NC(C(C)C)CC1C
InChIInChI=1S/C9H17N/c1-6(2)9-5-7(3)8(4)10-9/h6-7,9H,5H2,1-4H3
InChIKeyCAJYVWPGCKACFW-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.51
Rot. Bonds1

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

4,5-dimethyl-2-propan-2-yl-3,4-dihydro-2H-pyrrole (PubChem CID 90978080) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 4,5-dimethyl-2-propan-2-yl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name4,5-dimethyl-2-propan-2-yl-3,4-dihydro-2H-pyrrole
PubChem CID90978080
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name4,5-dimethyl-2-propan-2-yl-3,4-dihydro-2H-pyrrole
SMILESCC1=NC(C(C)C)CC1C
InChIInChI=1S/C9H17N/c1-6(2)9-5-7(3)8(4)10-9/h6-7,9H,5H2,1-4H3
InChIKeyCAJYVWPGCKACFW-UHFFFAOYSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2S,5S)-4,5-dimethyl-2-propan-2-yl-2,5-dihydro-1,3-thiazole
CID 86312344
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
ethane;1-methyl-2-propan-2-ylcyclopropane
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(4R)-4-propan-2-yl-2-[6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyridazin-3-yl]-4,5-dihydro-1,3-oxazole
CID 132550078
3-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrazole
CID 58926371
4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
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CID 10905633
CID 10905633
2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid
CID 84654084
(2S,4S,5E,8S,9S)-4,8-dihydroxy-2,6-dimethyl-9-propan-2-ylcyclodec-5-en-1-one
CID 102066677
cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane
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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-propan-2-yl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 4,5-dimethyl-2-propan-2-yl-3,4-dihydro-2H-pyrrole (CID 90978080) is 4,5-dimethyl-2-propan-2-yl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 4,5-dimethyl-2-propan-2-yl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 4,5-dimethyl-2-propan-2-yl-3,4-dihydro-2H-pyrrole is CC1=NC(C(C)C)CC1C.
What is the InChIKey of 4,5-dimethyl-2-propan-2-yl-3,4-dihydro-2H-pyrrole?
The InChIKey is CAJYVWPGCKACFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-6(2)9-5-7(3)8(4)10-9/h6-7,9H,5H2,1-4H3.
What are the key properties of 4,5-dimethyl-2-propan-2-yl-3,4-dihydro-2H-pyrrole?
4,5-dimethyl-2-propan-2-yl-3,4-dihydro-2H-pyrrole has a molecular weight of 139.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-propan-2-yl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 90978080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).