cyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol

C17H23NO — CID 106651079

IUPACcyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
SMILESCN1CCc2cc(C(O)C3=CCCCCC3)ccc21
InChIInChI=1S/C17H23NO/c1-18-11-10-14-12-15(8-9-16(14)18)17(19)13-6-4-2-3-5-7-13/h6,8-9,12,17,19H,2-5,7,10-11H2,1H3
InChIKeyKCWWOHJLYBCCTF-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.60
Rot. Bonds2

About cyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol

cyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol (PubChem CID 106651079) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is cyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol.

Molecular Properties

Compound Namecyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
PubChem CID106651079
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Namecyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
SMILESCN1CCc2cc(C(O)C3=CCCCCC3)ccc21
InChIInChI=1S/C17H23NO/c1-18-11-10-14-12-15(8-9-16(14)18)17(19)13-6-4-2-3-5-7-13/h6,8-9,12,17,19H,2-5,7,10-11H2,1H3
InChIKeyKCWWOHJLYBCCTF-UHFFFAOYSA-N
XLogP3.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 106657645
(1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol
CID 63902192
furan-3-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63948147
(2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 82802452
cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900130
(2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900549
(1-methyl-2,3-dihydroindol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102829226
(1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol
CID 63899931
(2-methoxy-5-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900554
3-hydroxy-2-methyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 79132691
(2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 82791432
3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138292

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol?
The IUPAC name of cyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol (CID 106651079) is cyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol.
What is the SMILES notation for cyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol?
The canonical SMILES for cyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol is CN1CCc2cc(C(O)C3=CCCCCC3)ccc21.
What is the InChIKey of cyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol?
The InChIKey is KCWWOHJLYBCCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-18-11-10-14-12-15(8-9-16(14)18)17(19)13-6-4-2-3-5-7-13/h6,8-9,12,17,19H,2-5,7,10-11H2,1H3.
What are the key properties of cyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol?
cyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol has a molecular weight of 257.38 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol is sourced from PubChem (CID 106651079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).