1,2-di(propan-2-yl)cyclopenta-1,3-diene;3,4-di(propan-2-yl)-2H-pyrrole;methane

C22H39N — CID 158176502

IUPAC1,2-di(propan-2-yl)cyclopenta-1,3-diene;3,4-di(propan-2-yl)-2H-pyrrole;methane
SMILESC.CC(C)C1=C(C(C)C)CC=C1.CC(C)C1=C(C(C)C)CN=C1
InChIInChI=1S/C11H18.C10H17N.CH4/c1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-11-6-10(9)8(3)4;/h5-6,8-9H,7H2,1-4H3;5,7-8H,6H2,1-4H3;1H4
InChIKeyFYBFZJLYAAHWQQ-UHFFFAOYSA-N
MW317.56 g/mol
LogP6.87
Rot. Bonds4

About 1,2-di(propan-2-yl)cyclopenta-1,3-diene;3,4-di(propan-2-yl)-2H-pyrrole;methane

1,2-di(propan-2-yl)cyclopenta-1,3-diene;3,4-di(propan-2-yl)-2H-pyrrole;methane (PubChem CID 158176502) has the molecular formula C22H39N and a molecular weight of 317.56 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)cyclopenta-1,3-diene;3,4-di(propan-2-yl)-2H-pyrrole;methane.

Molecular Properties

Compound Name1,2-di(propan-2-yl)cyclopenta-1,3-diene;3,4-di(propan-2-yl)-2H-pyrrole;methane
PubChem CID158176502
Molecular FormulaC22H39N
Molecular Weight317.56 g/mol
Exact Mass317.31
IUPAC Name1,2-di(propan-2-yl)cyclopenta-1,3-diene;3,4-di(propan-2-yl)-2H-pyrrole;methane
SMILESC.CC(C)C1=C(C(C)C)CC=C1.CC(C)C1=C(C(C)C)CN=C1
InChIInChI=1S/C11H18.C10H17N.CH4/c1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-11-6-10(9)8(3)4;/h5-6,8-9H,7H2,1-4H3;5,7-8H,6H2,1-4H3;1H4
InChIKeyFYBFZJLYAAHWQQ-UHFFFAOYSA-N
XLogP6.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.56
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2-di(propan-2-yl)cyclopenta-1,3-diene;3,4-di(propan-2-yl)-2H-pyrrole;methane with MolForge

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Related Compounds

5-methylidene-3,4-di(propan-2-yl)-2H-pyridine
CID 60125534
4,4-Dimethyl-10-propan-2-yl-3-azabicyclo[5.5.0]dodeca-1(12),2,5,7,9-pentaene
CID 90685841
4-[(E)-4-methylpent-1-enyl]-2H-pyrrole
CID 124099016
(2Z)-N-ethyl-2-ethylidene-4-methyl-3-methylidenepentan-1-imine
CID 129067097
N-[(Z,2E)-5-methyl-2-pentylideneoct-3-enyl]pentan-1-imine
CID 130183025
(2Z)-2-ethylidene-N,4-dimethyl-3-methylidenepentan-1-imine
CID 132198177
3-[(Z)-2,5-dimethylhex-3-en-3-yl]-5-ethenyl-4-methyl-2H-azepine
CID 134547707
(Z)-2-[7-[(Z)-but-1-enyl]-5-methyl-3-[(3E)-2,4,5-trimethylhepta-1,3-dien-3-yl]cyclohepta-1,3,6-trien-1-yl]-N-methylbut-2-en-1-imine
CID 135294770
N-methyl-1-[2-methyl-6-(2-methylpropyl)cyclohepta-1,4,6-trien-1-yl]methanimine
CID 137446280
(3Z,5Z)-N-methyl-2-methylidene-5-(2-methylpropyl)nona-3,5,8-trien-1-imine
CID 139294195
ethane;3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine
CID 142259552
8,8-dimethyl-4-propan-2-yl-1H-cyclohepta[c]pyrrole;ethane
CID 142420181

Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)cyclopenta-1,3-diene;3,4-di(propan-2-yl)-2H-pyrrole;methane?
The IUPAC name of 1,2-di(propan-2-yl)cyclopenta-1,3-diene;3,4-di(propan-2-yl)-2H-pyrrole;methane (CID 158176502) is 1,2-di(propan-2-yl)cyclopenta-1,3-diene;3,4-di(propan-2-yl)-2H-pyrrole;methane.
What is the SMILES notation for 1,2-di(propan-2-yl)cyclopenta-1,3-diene;3,4-di(propan-2-yl)-2H-pyrrole;methane?
The canonical SMILES for 1,2-di(propan-2-yl)cyclopenta-1,3-diene;3,4-di(propan-2-yl)-2H-pyrrole;methane is C.CC(C)C1=C(C(C)C)CC=C1.CC(C)C1=C(C(C)C)CN=C1.
What is the InChIKey of 1,2-di(propan-2-yl)cyclopenta-1,3-diene;3,4-di(propan-2-yl)-2H-pyrrole;methane?
The InChIKey is FYBFZJLYAAHWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18.C10H17N.CH4/c1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-11-6-10(9)8(3)4;/h5-6,8-9H,7H2,1-4H3;5,7-8H,6H2,1-4H3;1H4.
What are the key properties of 1,2-di(propan-2-yl)cyclopenta-1,3-diene;3,4-di(propan-2-yl)-2H-pyrrole;methane?
1,2-di(propan-2-yl)cyclopenta-1,3-diene;3,4-di(propan-2-yl)-2H-pyrrole;methane has a molecular weight of 317.56 g/mol, XLogP of 6.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)cyclopenta-1,3-diene;3,4-di(propan-2-yl)-2H-pyrrole;methane is sourced from PubChem (CID 158176502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).