4-(7,7-dimethyl-6-methylidene-5,8-dihydronaphthalen-2-yl)-2-methyl-3H-pyrrole

C18H21N — CID 167601513

IUPAC4-(7,7-dimethyl-6-methylidene-5,8-dihydronaphthalen-2-yl)-2-methyl-3H-pyrrole
SMILESC=C1Cc2ccc(C3=CN=C(C)C3)cc2CC1(C)C
InChIInChI=1S/C18H21N/c1-12-7-14-5-6-15(17-8-13(2)19-11-17)9-16(14)10-18(12,3)4/h5-6,9,11H,1,7-8,10H2,2-4H3
InChIKeyZVCMENQRYSBNIQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.57
Rot. Bonds1

About 4-(7,7-dimethyl-6-methylidene-5,8-dihydronaphthalen-2-yl)-2-methyl-3H-pyrrole

4-(7,7-dimethyl-6-methylidene-5,8-dihydronaphthalen-2-yl)-2-methyl-3H-pyrrole (PubChem CID 167601513) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(7,7-dimethyl-6-methylidene-5,8-dihydronaphthalen-2-yl)-2-methyl-3H-pyrrole.

Molecular Properties

Compound Name4-(7,7-dimethyl-6-methylidene-5,8-dihydronaphthalen-2-yl)-2-methyl-3H-pyrrole
PubChem CID167601513
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name4-(7,7-dimethyl-6-methylidene-5,8-dihydronaphthalen-2-yl)-2-methyl-3H-pyrrole
SMILESC=C1Cc2ccc(C3=CN=C(C)C3)cc2CC1(C)C
InChIInChI=1S/C18H21N/c1-12-7-14-5-6-15(17-8-13(2)19-11-17)9-16(14)10-18(12,3)4/h5-6,9,11H,1,7-8,10H2,2-4H3
InChIKeyZVCMENQRYSBNIQ-UHFFFAOYSA-N
XLogP4.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(7,7-dimethyl-6-methylidene-5,8-dihydronaphthalen-2-yl)-2-methyl-3H-pyrrole?
The IUPAC name of 4-(7,7-dimethyl-6-methylidene-5,8-dihydronaphthalen-2-yl)-2-methyl-3H-pyrrole (CID 167601513) is 4-(7,7-dimethyl-6-methylidene-5,8-dihydronaphthalen-2-yl)-2-methyl-3H-pyrrole.
What is the SMILES notation for 4-(7,7-dimethyl-6-methylidene-5,8-dihydronaphthalen-2-yl)-2-methyl-3H-pyrrole?
The canonical SMILES for 4-(7,7-dimethyl-6-methylidene-5,8-dihydronaphthalen-2-yl)-2-methyl-3H-pyrrole is C=C1Cc2ccc(C3=CN=C(C)C3)cc2CC1(C)C.
What is the InChIKey of 4-(7,7-dimethyl-6-methylidene-5,8-dihydronaphthalen-2-yl)-2-methyl-3H-pyrrole?
The InChIKey is ZVCMENQRYSBNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-12-7-14-5-6-15(17-8-13(2)19-11-17)9-16(14)10-18(12,3)4/h5-6,9,11H,1,7-8,10H2,2-4H3.
What are the key properties of 4-(7,7-dimethyl-6-methylidene-5,8-dihydronaphthalen-2-yl)-2-methyl-3H-pyrrole?
4-(7,7-dimethyl-6-methylidene-5,8-dihydronaphthalen-2-yl)-2-methyl-3H-pyrrole has a molecular weight of 251.37 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,7-dimethyl-6-methylidene-5,8-dihydronaphthalen-2-yl)-2-methyl-3H-pyrrole is sourced from PubChem (CID 167601513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).