2-methyl-5-propan-2-ylidene-3,4-dihydropyrrole

C8H13N — CID 166953933

IUPAC2-methyl-5-propan-2-ylidene-3,4-dihydropyrrole
SMILESCC1=NC(=C(C)C)CC1
InChIInChI=1S/C8H13N/c1-6(2)8-5-4-7(3)9-8/h4-5H2,1-3H3
InChIKeyFZRUURDNADNRFM-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.54
Rot. Bonds

About 2-methyl-5-propan-2-ylidene-3,4-dihydropyrrole

2-methyl-5-propan-2-ylidene-3,4-dihydropyrrole (PubChem CID 166953933) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-methyl-5-propan-2-ylidene-3,4-dihydropyrrole.

Molecular Properties

Compound Name2-methyl-5-propan-2-ylidene-3,4-dihydropyrrole
PubChem CID166953933
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-methyl-5-propan-2-ylidene-3,4-dihydropyrrole
SMILESCC1=NC(=C(C)C)CC1
InChIInChI=1S/C8H13N/c1-6(2)8-5-4-7(3)9-8/h4-5H2,1-3H3
InChIKeyFZRUURDNADNRFM-UHFFFAOYSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Ethyl-4-(propan-2-ylidene)-3,4-dihydro-2H-pyrrole
CID 13272518
5-Methyl-4-(propan-2-ylidene)-3,4-dihydro-2H-pyrrole
CID 15581274
2,3,3,4,5-Pentamethylpyrrole
CID 301930
2H-Pyrrole, 3,4-dihydro-4,4,5-trimethyl-2-(1-methylethylidene)-
CID 5325603
2,4,5-trimethyl-3H-pyrrole
CID 9793719
5-Methyl-3-propan-2-ylidene-2,4-dihydropyrrole
CID 13017224
2,4,6-Trimethyl-3,5-dihydrocyclopenta[b]pyrrole
CID 20647157
2,4,5-Trimethyl-3,6-dihydrocyclopenta[b]pyrrole
CID 20647159
4-ethyl-2,5-dimethyl-3H-pyrrole
CID 20765952
1,2,4,5-tetramethyl-3H-pyrrol-1-ium
CID 21335521
2-methyl-4,5,6,7-tetrahydro-3H-indole
CID 23558734
2-Methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole
CID 23558745

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-ylidene-3,4-dihydropyrrole?
The IUPAC name of 2-methyl-5-propan-2-ylidene-3,4-dihydropyrrole (CID 166953933) is 2-methyl-5-propan-2-ylidene-3,4-dihydropyrrole.
What is the SMILES notation for 2-methyl-5-propan-2-ylidene-3,4-dihydropyrrole?
The canonical SMILES for 2-methyl-5-propan-2-ylidene-3,4-dihydropyrrole is CC1=NC(=C(C)C)CC1.
What is the InChIKey of 2-methyl-5-propan-2-ylidene-3,4-dihydropyrrole?
The InChIKey is FZRUURDNADNRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6(2)8-5-4-7(3)9-8/h4-5H2,1-3H3.
What are the key properties of 2-methyl-5-propan-2-ylidene-3,4-dihydropyrrole?
2-methyl-5-propan-2-ylidene-3,4-dihydropyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-ylidene-3,4-dihydropyrrole is sourced from PubChem (CID 166953933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).