1,2-di(propan-2-yl)naphthalene;1H-pyrrole

C20H25N — CID 175415753

IUPAC1,2-di(propan-2-yl)naphthalene;1H-pyrrole
SMILESCC(C)c1ccc2ccccc2c1C(C)C.c1cc[nH]c1
InChIInChI=1S/C16H20.C4H5N/c1-11(2)14-10-9-13-7-5-6-8-15(13)16(14)12(3)4;1-2-4-5-3-1/h5-12H,1-4H3;1-5H
InChIKeyJHRIWTSWRAANSQ-UHFFFAOYSA-N
MW279.43 g/mol
LogP6.10
Rot. Bonds2

About 1,2-di(propan-2-yl)naphthalene;1H-pyrrole

1,2-di(propan-2-yl)naphthalene;1H-pyrrole (PubChem CID 175415753) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)naphthalene;1H-pyrrole.

Molecular Properties

Compound Name1,2-di(propan-2-yl)naphthalene;1H-pyrrole
PubChem CID175415753
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name1,2-di(propan-2-yl)naphthalene;1H-pyrrole
SMILESCC(C)c1ccc2ccccc2c1C(C)C.c1cc[nH]c1
InChIInChI=1S/C16H20.C4H5N/c1-11(2)14-10-9-13-7-5-6-8-15(13)16(14)12(3)4;1-2-4-5-3-1/h5-12H,1-4H3;1-5H
InChIKeyJHRIWTSWRAANSQ-UHFFFAOYSA-N
XLogP6.10
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)naphthalene;1H-pyrrole?
The IUPAC name of 1,2-di(propan-2-yl)naphthalene;1H-pyrrole (CID 175415753) is 1,2-di(propan-2-yl)naphthalene;1H-pyrrole.
What is the SMILES notation for 1,2-di(propan-2-yl)naphthalene;1H-pyrrole?
The canonical SMILES for 1,2-di(propan-2-yl)naphthalene;1H-pyrrole is CC(C)c1ccc2ccccc2c1C(C)C.c1cc[nH]c1.
What is the InChIKey of 1,2-di(propan-2-yl)naphthalene;1H-pyrrole?
The InChIKey is JHRIWTSWRAANSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20.C4H5N/c1-11(2)14-10-9-13-7-5-6-8-15(13)16(14)12(3)4;1-2-4-5-3-1/h5-12H,1-4H3;1-5H.
What are the key properties of 1,2-di(propan-2-yl)naphthalene;1H-pyrrole?
1,2-di(propan-2-yl)naphthalene;1H-pyrrole has a molecular weight of 279.43 g/mol, XLogP of 6.10, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)naphthalene;1H-pyrrole is sourced from PubChem (CID 175415753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).