7-[(dimethylamino)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

C14H19NO — CID 154119920

IUPAC7-[(dimethylamino)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESCN(C)CC1CCc2ccccc2C(=O)C1
InChIInChI=1S/C14H19NO/c1-15(2)10-11-7-8-12-5-3-4-6-13(12)14(16)9-11/h3-6,11H,7-10H2,1-2H3
InChIKeyTXPFDBPCDDXWQH-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.38
Rot. Bonds2

About 7-[(dimethylamino)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

7-[(dimethylamino)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (PubChem CID 154119920) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 7-[(dimethylamino)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.

Molecular Properties

Compound Name7-[(dimethylamino)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
PubChem CID154119920
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name7-[(dimethylamino)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESCN(C)CC1CCc2ccccc2C(=O)C1
InChIInChI=1S/C14H19NO/c1-15(2)10-11-7-8-12-5-3-4-6-13(12)14(16)9-11/h3-6,11H,7-10H2,1-2H3
InChIKeyTXPFDBPCDDXWQH-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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7-(propan-2-ylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
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CID 125478186
3-[(dimethylamino)methyl]-1H-isochromen-4-one
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2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one
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Frequently Asked Questions

What is the IUPAC name of 7-[(dimethylamino)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The IUPAC name of 7-[(dimethylamino)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (CID 154119920) is 7-[(dimethylamino)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.
What is the SMILES notation for 7-[(dimethylamino)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The canonical SMILES for 7-[(dimethylamino)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is CN(C)CC1CCc2ccccc2C(=O)C1.
What is the InChIKey of 7-[(dimethylamino)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The InChIKey is TXPFDBPCDDXWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-15(2)10-11-7-8-12-5-3-4-6-13(12)14(16)9-11/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 7-[(dimethylamino)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
7-[(dimethylamino)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one has a molecular weight of 217.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(dimethylamino)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is sourced from PubChem (CID 154119920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).