5-(1-methylcyclopropyl)-4-propan-2-yl-2H-pyrrole

C11H17N — CID 153178008

IUPAC5-(1-methylcyclopropyl)-4-propan-2-yl-2H-pyrrole
SMILESCC(C)C1=CCN=C1C1(C)CC1
InChIInChI=1S/C11H17N/c1-8(2)9-4-7-12-10(9)11(3)5-6-11/h4,8H,5-7H2,1-3H3
InChIKeyWFOZYZNKDVPVIU-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.82
Rot. Bonds2

About 5-(1-methylcyclopropyl)-4-propan-2-yl-2H-pyrrole

5-(1-methylcyclopropyl)-4-propan-2-yl-2H-pyrrole (PubChem CID 153178008) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 5-(1-methylcyclopropyl)-4-propan-2-yl-2H-pyrrole.

Molecular Properties

Compound Name5-(1-methylcyclopropyl)-4-propan-2-yl-2H-pyrrole
PubChem CID153178008
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name5-(1-methylcyclopropyl)-4-propan-2-yl-2H-pyrrole
SMILESCC(C)C1=CCN=C1C1(C)CC1
InChIInChI=1S/C11H17N/c1-8(2)9-4-7-12-10(9)11(3)5-6-11/h4,8H,5-7H2,1-3H3
InChIKeyWFOZYZNKDVPVIU-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
(1Z)-3,5,5-Trimethyl-N-(prop-2-en-1-yl)cyclohex-2-en-1-imine
CID 238062
4,5-ditert-butyl-2H-pyrrole
CID 59746509
4-tert-butyl-5-(2,3,3-trimethylbutan-2-yl)-2H-pyrrole
CID 122694989
5-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-2H-pyrrole
CID 122694994
5-tert-butyl-2-ethyl-4-propan-2-yl-2H-pyrrole
CID 123213753
5-ethylidene-N-prop-2-enylspiro[2.5]octan-8-imine
CID 123214256
5-tert-butyl-2,4-diethyl-2H-pyrrole
CID 123607834
5-[2-(4,4-dimethylpent-1-en-2-yl)cyclopropyl]-3-methyl-2H-pyrrole
CID 129025353
1-(2-ethylcyclopropyl)-3-methyl-N-propan-2-ylbut-2-en-1-imine
CID 130433840
4-cyclopropyl-5-propan-2-yl-2H-pyrrole
CID 139307362
5-propan-2-yl-4-propyl-2H-pyrrole
CID 139308368

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclopropyl)-4-propan-2-yl-2H-pyrrole?
The IUPAC name of 5-(1-methylcyclopropyl)-4-propan-2-yl-2H-pyrrole (CID 153178008) is 5-(1-methylcyclopropyl)-4-propan-2-yl-2H-pyrrole.
What is the SMILES notation for 5-(1-methylcyclopropyl)-4-propan-2-yl-2H-pyrrole?
The canonical SMILES for 5-(1-methylcyclopropyl)-4-propan-2-yl-2H-pyrrole is CC(C)C1=CCN=C1C1(C)CC1.
What is the InChIKey of 5-(1-methylcyclopropyl)-4-propan-2-yl-2H-pyrrole?
The InChIKey is WFOZYZNKDVPVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-8(2)9-4-7-12-10(9)11(3)5-6-11/h4,8H,5-7H2,1-3H3.
What are the key properties of 5-(1-methylcyclopropyl)-4-propan-2-yl-2H-pyrrole?
5-(1-methylcyclopropyl)-4-propan-2-yl-2H-pyrrole has a molecular weight of 163.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclopropyl)-4-propan-2-yl-2H-pyrrole is sourced from PubChem (CID 153178008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).