2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohepta-2,4,6-trien-1-one

C19H17NO — CID 15066371

IUPAC2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohepta-2,4,6-trien-1-one
SMILESC[C@@H](Nc1cccccc1=O)c1cccc2ccccc12
InChIInChI=1S/C19H17NO/c1-14(20-18-12-3-2-4-13-19(18)21)16-11-7-9-15-8-5-6-10-17(15)16/h2-14H,1H3,(H,20,21)/t14-/m1/s1
InChIKeyWEMYXVTVWAXVBX-CQSZACIVSA-N
MW275.35 g/mol
LogP4.37
Rot. Bonds3

About 2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohepta-2,4,6-trien-1-one

2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohepta-2,4,6-trien-1-one (PubChem CID 15066371) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohepta-2,4,6-trien-1-one
PubChem CID15066371
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohepta-2,4,6-trien-1-one
SMILESC[C@@H](Nc1cccccc1=O)c1cccc2ccccc12
InChIInChI=1S/C19H17NO/c1-14(20-18-12-3-2-4-13-19(18)21)16-11-7-9-15-8-5-6-10-17(15)16/h2-14H,1H3,(H,20,21)/t14-/m1/s1
InChIKeyWEMYXVTVWAXVBX-CQSZACIVSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43103327
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CID 43736721
2-[(1S)-1-[2-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]anilino]ethyl]phenol
CID 71049454
(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
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N-[(1R)-1-naphthalen-1-ylethyl]formamide
CID 87180924
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline
CID 107632024
2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-(2-phenylphenyl)acetamide
CID 9397796
lithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide
CID 177413049
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657843

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohepta-2,4,6-trien-1-one (CID 15066371) is 2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohepta-2,4,6-trien-1-one is C[C@@H](Nc1cccccc1=O)c1cccc2ccccc12.
What is the InChIKey of 2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohepta-2,4,6-trien-1-one?
The InChIKey is WEMYXVTVWAXVBX-CQSZACIVSA-N. The full InChI is InChI=1S/C19H17NO/c1-14(20-18-12-3-2-4-13-19(18)21)16-11-7-9-15-8-5-6-10-17(15)16/h2-14H,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of 2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohepta-2,4,6-trien-1-one?
2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohepta-2,4,6-trien-1-one has a molecular weight of 275.35 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 15066371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).