2-(cyclopropylmethyl)-2-methylpyrrole

C9H13N — CID 90798396

IUPAC2-(cyclopropylmethyl)-2-methylpyrrole
SMILESCC1(CC2CC2)C=CC=N1
InChIInChI=1S/C9H13N/c1-9(5-2-6-10-9)7-8-3-4-8/h2,5-6,8H,3-4,7H2,1H3
InChIKeyCZZLQKCOLPPYJA-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.19
Rot. Bonds2

About 2-(cyclopropylmethyl)-2-methylpyrrole

2-(cyclopropylmethyl)-2-methylpyrrole (PubChem CID 90798396) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-2-methylpyrrole.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-2-methylpyrrole
PubChem CID90798396
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2-(cyclopropylmethyl)-2-methylpyrrole
SMILESCC1(CC2CC2)C=CC=N1
InChIInChI=1S/C9H13N/c1-9(5-2-6-10-9)7-8-3-4-8/h2,5-6,8H,3-4,7H2,1H3
InChIKeyCZZLQKCOLPPYJA-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Non-6-en-4-yl-2-propylpyrrole
CID 56981173
2-Hexan-3-yl-2-pentylpyrrole
CID 57206465
2-Methyl-2-propylpyrrole
CID 57216634
3-Butan-2-yl-2,2-dimethylpyrrole
CID 90014489
2-(4-Methylpentan-2-yl)-2-propylpyrrole
CID 90742263
2-Ethyl-2-hexan-2-ylpyrrole
CID 90955291
2-Ethyl-2-propan-2-ylpyrrole
CID 91079741
2-(3-Methylpentan-2-yl)-2-propylpyrrole
CID 91153441
2-Hexan-2-yl-2-propylpyrrole
CID 91263132
2-Butan-2-yl-2-propylpyrrole
CID 91290368
2-(3-Methylbutan-2-yl)-2-propylpyrrole
CID 91336188
2-Hexan-2-yl-2-methylpyrrole
CID 91352263

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-2-methylpyrrole?
The IUPAC name of 2-(cyclopropylmethyl)-2-methylpyrrole (CID 90798396) is 2-(cyclopropylmethyl)-2-methylpyrrole.
What is the SMILES notation for 2-(cyclopropylmethyl)-2-methylpyrrole?
The canonical SMILES for 2-(cyclopropylmethyl)-2-methylpyrrole is CC1(CC2CC2)C=CC=N1.
What is the InChIKey of 2-(cyclopropylmethyl)-2-methylpyrrole?
The InChIKey is CZZLQKCOLPPYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-9(5-2-6-10-9)7-8-3-4-8/h2,5-6,8H,3-4,7H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-2-methylpyrrole?
2-(cyclopropylmethyl)-2-methylpyrrole has a molecular weight of 135.21 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-2-methylpyrrole is sourced from PubChem (CID 90798396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).