1-(4-aminocyclopent-2-en-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone

C17H21NO — CID 116584802

IUPAC1-(4-aminocyclopent-2-en-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
SMILESNC1C=CC(C(=O)CC2CCCc3ccccc32)C1
InChIInChI=1S/C17H21NO/c18-15-9-8-14(10-15)17(19)11-13-6-3-5-12-4-1-2-7-16(12)13/h1-2,4,7-9,13-15H,3,5-6,10-11,18H2
InChIKeyFAQVTKYNLKYTFK-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.97
Rot. Bonds3

About 1-(4-aminocyclopent-2-en-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone

1-(4-aminocyclopent-2-en-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone (PubChem CID 116584802) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(4-aminocyclopent-2-en-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-aminocyclopent-2-en-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
PubChem CID116584802
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(4-aminocyclopent-2-en-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
SMILESNC1C=CC(C(=O)CC2CCCc3ccccc32)C1
InChIInChI=1S/C17H21NO/c18-15-9-8-14(10-15)17(19)11-13-6-3-5-12-4-1-2-7-16(12)13/h1-2,4,7-9,13-15H,3,5-6,10-11,18H2
InChIKeyFAQVTKYNLKYTFK-UHFFFAOYSA-N
XLogP2.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminocyclopent-2-en-1-yl)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethanone
CID 116584905
1-(4-aminocyclopent-2-en-1-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 116584943
1-(2-aminocycloheptyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 116595122
1-[(2S,4S)-4-methylpyrrolidin-2-yl]-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
CID 167540854
1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116558983
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 119411829
1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63772473
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanone
CID 55243638
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiomorpholin-3-ylethanone
CID 116609481
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
1-(cyclohexen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116659683

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclopent-2-en-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone?
The IUPAC name of 1-(4-aminocyclopent-2-en-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone (CID 116584802) is 1-(4-aminocyclopent-2-en-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone.
What is the SMILES notation for 1-(4-aminocyclopent-2-en-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone?
The canonical SMILES for 1-(4-aminocyclopent-2-en-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone is NC1C=CC(C(=O)CC2CCCc3ccccc32)C1.
What is the InChIKey of 1-(4-aminocyclopent-2-en-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone?
The InChIKey is FAQVTKYNLKYTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c18-15-9-8-14(10-15)17(19)11-13-6-3-5-12-4-1-2-7-16(12)13/h1-2,4,7-9,13-15H,3,5-6,10-11,18H2.
What are the key properties of 1-(4-aminocyclopent-2-en-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone?
1-(4-aminocyclopent-2-en-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone has a molecular weight of 255.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclopent-2-en-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone is sourced from PubChem (CID 116584802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).