6-phenyl-1-(4,5,7,8-tetrahydrofuro[2,3-d]azepin-6-yl)hexan-1-one

C20H25NO2 — CID 19600053

IUPAC6-phenyl-1-(4,5,7,8-tetrahydrofuro[2,3-d]azepin-6-yl)hexan-1-one
SMILESO=C(CCCCCc1ccccc1)N1CCc2ccoc2CC1
InChIInChI=1S/C20H25NO2/c22-20(10-6-2-5-9-17-7-3-1-4-8-17)21-14-11-18-13-16-23-19(18)12-15-21/h1,3-4,7-8,13,16H,2,5-6,9-12,14-15H2
InChIKeyOLGPZFARWHHTJT-UHFFFAOYSA-N
MW311.42 g/mol
LogP4.01
Rot. Bonds6

About 6-phenyl-1-(4,5,7,8-tetrahydrofuro[2,3-d]azepin-6-yl)hexan-1-one

6-phenyl-1-(4,5,7,8-tetrahydrofuro[2,3-d]azepin-6-yl)hexan-1-one (PubChem CID 19600053) has the molecular formula C20H25NO2 and a molecular weight of 311.42 g/mol. Its IUPAC name is 6-phenyl-1-(4,5,7,8-tetrahydrofuro[2,3-d]azepin-6-yl)hexan-1-one.

Molecular Properties

Compound Name6-phenyl-1-(4,5,7,8-tetrahydrofuro[2,3-d]azepin-6-yl)hexan-1-one
PubChem CID19600053
Molecular FormulaC20H25NO2
Molecular Weight311.42 g/mol
Exact Mass311.19
IUPAC Name6-phenyl-1-(4,5,7,8-tetrahydrofuro[2,3-d]azepin-6-yl)hexan-1-one
SMILESO=C(CCCCCc1ccccc1)N1CCc2ccoc2CC1
InChIInChI=1S/C20H25NO2/c22-20(10-6-2-5-9-17-7-3-1-4-8-17)21-14-11-18-13-16-23-19(18)12-15-21/h1,3-4,7-8,13,16H,2,5-6,9-12,14-15H2
InChIKeyOLGPZFARWHHTJT-UHFFFAOYSA-N
XLogP4.01
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-(5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)decan-1-one
CID 19600095
1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-6-phenylhexan-1-one
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1-(4-hydroxyiminopiperidin-1-yl)-4-phenylbutan-1-one
CID 43119536
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-5-phenylpentan-1-one
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N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-N-(3-phenylpropyl)acetamide
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1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-phenylbutan-1-one
CID 163350691
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-5-phenylpentan-1-one
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tert-butyl 4-(5-phenylpentanoyl)piperazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1-(4,5,7,8-tetrahydrofuro[2,3-d]azepin-6-yl)hexan-1-one?
The IUPAC name of 6-phenyl-1-(4,5,7,8-tetrahydrofuro[2,3-d]azepin-6-yl)hexan-1-one (CID 19600053) is 6-phenyl-1-(4,5,7,8-tetrahydrofuro[2,3-d]azepin-6-yl)hexan-1-one.
What is the SMILES notation for 6-phenyl-1-(4,5,7,8-tetrahydrofuro[2,3-d]azepin-6-yl)hexan-1-one?
The canonical SMILES for 6-phenyl-1-(4,5,7,8-tetrahydrofuro[2,3-d]azepin-6-yl)hexan-1-one is O=C(CCCCCc1ccccc1)N1CCc2ccoc2CC1.
What is the InChIKey of 6-phenyl-1-(4,5,7,8-tetrahydrofuro[2,3-d]azepin-6-yl)hexan-1-one?
The InChIKey is OLGPZFARWHHTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c22-20(10-6-2-5-9-17-7-3-1-4-8-17)21-14-11-18-13-16-23-19(18)12-15-21/h1,3-4,7-8,13,16H,2,5-6,9-12,14-15H2.
What are the key properties of 6-phenyl-1-(4,5,7,8-tetrahydrofuro[2,3-d]azepin-6-yl)hexan-1-one?
6-phenyl-1-(4,5,7,8-tetrahydrofuro[2,3-d]azepin-6-yl)hexan-1-one has a molecular weight of 311.42 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1-(4,5,7,8-tetrahydrofuro[2,3-d]azepin-6-yl)hexan-1-one is sourced from PubChem (CID 19600053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).