ethene;2-propan-2-yl-3H-pyrrole

C9H15N — CID 142624380

IUPACethene;2-propan-2-yl-3H-pyrrole
SMILESC=C.CC(C)C1=NC=CC1
InChIInChI=1S/C7H11N.C2H4/c1-6(2)7-4-3-5-8-7;1-2/h3,5-6H,4H2,1-2H3;1-2H2
InChIKeyPUHMSUXESFVQCG-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.80
Rot. Bonds1

About ethene;2-propan-2-yl-3H-pyrrole

ethene;2-propan-2-yl-3H-pyrrole (PubChem CID 142624380) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is ethene;2-propan-2-yl-3H-pyrrole.

Molecular Properties

Compound Nameethene;2-propan-2-yl-3H-pyrrole
PubChem CID142624380
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Nameethene;2-propan-2-yl-3H-pyrrole
SMILESC=C.CC(C)C1=NC=CC1
InChIInChI=1S/C7H11N.C2H4/c1-6(2)7-4-3-5-8-7;1-2/h3,5-6H,4H2,1-2H3;1-2H2
InChIKeyPUHMSUXESFVQCG-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-propan-2-yl-2H-pyrazine
CID 175224123
5-ethyl-7-propan-2-yl-4H-azepin-6-ol
CID 143740822
tert-butyl N-[(1S)-2,2-dimethyl-1-(3H-pyrrol-2-yl)propyl]carbamate
CID 152877576
1-(4-bromophenyl)-3-[(1S)-2-methyl-1-(3H-pyrrol-2-yl)propyl]urea
CID 148853205
3,5-di(propan-2-yl)-4H-pyrazole
CID 58961217
2-methylsulfinyl-3H-pyrrole
CID 159434011
ethane;2-ethyl-3H-pyrrole;propane
CID 171562713
2-(2,2-dimethylpropyl)-3H-pyrrole
CID 58530741
2-tert-butyl-3H-pyrrole;1H-imidazole;2-methylpropane
CID 159067766
2-ethoxy-N,N-di(propan-2-yl)-5H-1,3-diazepin-4-amine
CID 11160742
2-methyl-1-propan-2-ylcyclopenta-1,3-diene
CID 18914846
1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane
CID 162105362

Frequently Asked Questions

What is the IUPAC name of ethene;2-propan-2-yl-3H-pyrrole?
The IUPAC name of ethene;2-propan-2-yl-3H-pyrrole (CID 142624380) is ethene;2-propan-2-yl-3H-pyrrole.
What is the SMILES notation for ethene;2-propan-2-yl-3H-pyrrole?
The canonical SMILES for ethene;2-propan-2-yl-3H-pyrrole is C=C.CC(C)C1=NC=CC1.
What is the InChIKey of ethene;2-propan-2-yl-3H-pyrrole?
The InChIKey is PUHMSUXESFVQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C2H4/c1-6(2)7-4-3-5-8-7;1-2/h3,5-6H,4H2,1-2H3;1-2H2.
What are the key properties of ethene;2-propan-2-yl-3H-pyrrole?
ethene;2-propan-2-yl-3H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-propan-2-yl-3H-pyrrole is sourced from PubChem (CID 142624380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).