2-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

C19H25NO — CID 83210596

IUPAC2-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESCC(C)c1ccc(Cn2cc3c(c2)C(O)CCCC3)cc1
InChIInChI=1S/C19H25NO/c1-14(2)16-9-7-15(8-10-16)11-20-12-17-5-3-4-6-19(21)18(17)13-20/h7-10,12-14,19,21H,3-6,11H2,1-2H3
InChIKeyBWNDWJKKBGKBJA-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.42
Rot. Bonds3

About 2-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

2-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (PubChem CID 83210596) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
PubChem CID83210596
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESCC(C)c1ccc(Cn2cc3c(c2)C(O)CCCC3)cc1
InChIInChI=1S/C19H25NO/c1-14(2)16-9-7-15(8-10-16)11-20-12-17-5-3-4-6-19(21)18(17)13-20/h7-10,12-14,19,21H,3-6,11H2,1-2H3
InChIKeyBWNDWJKKBGKBJA-UHFFFAOYSA-N
XLogP4.42
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The IUPAC name of 2-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (CID 83210596) is 2-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The canonical SMILES for 2-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is CC(C)c1ccc(Cn2cc3c(c2)C(O)CCCC3)cc1.
What is the InChIKey of 2-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The InChIKey is BWNDWJKKBGKBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(2)16-9-7-15(8-10-16)11-20-12-17-5-3-4-6-19(21)18(17)13-20/h7-10,12-14,19,21H,3-6,11H2,1-2H3.
What are the key properties of 2-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
2-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol has a molecular weight of 283.42 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is sourced from PubChem (CID 83210596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).