N-[5-(nitrosomethyl)-2,3-dihydro-1H-inden-1-yl]propanamide

C13H16N2O2 — CID 91202520

IUPACN-[5-(nitrosomethyl)-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESCCC(=O)NC1CCc2cc(CN=O)ccc21
InChIInChI=1S/C13H16N2O2/c1-2-13(16)15-12-6-4-10-7-9(8-14-17)3-5-11(10)12/h3,5,7,12H,2,4,6,8H2,1H3,(H,15,16)
InChIKeyLJAXLOIWELLEBK-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.47
Rot. Bonds4

About N-[5-(nitrosomethyl)-2,3-dihydro-1H-inden-1-yl]propanamide

N-[5-(nitrosomethyl)-2,3-dihydro-1H-inden-1-yl]propanamide (PubChem CID 91202520) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[5-(nitrosomethyl)-2,3-dihydro-1H-inden-1-yl]propanamide.

Molecular Properties

Compound NameN-[5-(nitrosomethyl)-2,3-dihydro-1H-inden-1-yl]propanamide
PubChem CID91202520
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[5-(nitrosomethyl)-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESCCC(=O)NC1CCc2cc(CN=O)ccc21
InChIInChI=1S/C13H16N2O2/c1-2-13(16)15-12-6-4-10-7-9(8-14-17)3-5-11(10)12/h3,5,7,12H,2,4,6,8H2,1H3,(H,15,16)
InChIKeyLJAXLOIWELLEBK-UHFFFAOYSA-N
XLogP2.47
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide
CID 94212219
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60574244
2-amino-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
CID 119302154
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 119300808
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxyacetamide
CID 112603522
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide
CID 79740816
N-(2,3-dihydro-1H-inden-1-yl)-2-(6-ethyl-1-benzofuran-3-yl)acetamide
CID 18103846
3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide
CID 119745353
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-fluorophenyl)acetamide
CID 110399683
N-[(1R)-5-[[(2S)-2-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoro-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-1-yl]propanamide
CID 125498389
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide
CID 116649806
1-(4-ethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681814

Frequently Asked Questions

What is the IUPAC name of N-[5-(nitrosomethyl)-2,3-dihydro-1H-inden-1-yl]propanamide?
The IUPAC name of N-[5-(nitrosomethyl)-2,3-dihydro-1H-inden-1-yl]propanamide (CID 91202520) is N-[5-(nitrosomethyl)-2,3-dihydro-1H-inden-1-yl]propanamide.
What is the SMILES notation for N-[5-(nitrosomethyl)-2,3-dihydro-1H-inden-1-yl]propanamide?
The canonical SMILES for N-[5-(nitrosomethyl)-2,3-dihydro-1H-inden-1-yl]propanamide is CCC(=O)NC1CCc2cc(CN=O)ccc21.
What is the InChIKey of N-[5-(nitrosomethyl)-2,3-dihydro-1H-inden-1-yl]propanamide?
The InChIKey is LJAXLOIWELLEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-13(16)15-12-6-4-10-7-9(8-14-17)3-5-11(10)12/h3,5,7,12H,2,4,6,8H2,1H3,(H,15,16).
What are the key properties of N-[5-(nitrosomethyl)-2,3-dihydro-1H-inden-1-yl]propanamide?
N-[5-(nitrosomethyl)-2,3-dihydro-1H-inden-1-yl]propanamide has a molecular weight of 232.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(nitrosomethyl)-2,3-dihydro-1H-inden-1-yl]propanamide is sourced from PubChem (CID 91202520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).