1,2,3,5,6,7-hexahydro-s-indacene-2,6-dicarboxamide

C14H16N2O2 — CID 132569005

IUPAC1,2,3,5,6,7-hexahydro-s-indacene-2,6-dicarboxamide
SMILESNC(=O)C1Cc2cc3c(cc2C1)CC(C(N)=O)C3
InChIInChI=1S/C14H16N2O2/c15-13(17)11-3-7-1-8-4-12(14(16)18)6-10(8)2-9(7)5-11/h1-2,11-12H,3-6H2,(H2,15,17)(H2,16,18)
InChIKeyPYZHCNDYXMTMDW-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.09
Rot. Bonds2

About 1,2,3,5,6,7-hexahydro-s-indacene-2,6-dicarboxamide

1,2,3,5,6,7-hexahydro-s-indacene-2,6-dicarboxamide (PubChem CID 132569005) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1,2,3,5,6,7-hexahydro-s-indacene-2,6-dicarboxamide.

Molecular Properties

Compound Name1,2,3,5,6,7-hexahydro-s-indacene-2,6-dicarboxamide
PubChem CID132569005
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1,2,3,5,6,7-hexahydro-s-indacene-2,6-dicarboxamide
SMILESNC(=O)C1Cc2cc3c(cc2C1)CC(C(N)=O)C3
InChIInChI=1S/C14H16N2O2/c15-13(17)11-3-7-1-8-4-12(14(16)18)6-10(8)2-9(7)5-11/h1-2,11-12H,3-6H2,(H2,15,17)(H2,16,18)
InChIKeyPYZHCNDYXMTMDW-UHFFFAOYSA-N
XLogP0.09
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2,3-dihydro-1H-indene-2-carboxamide
CID 77491392
5-chloro-6-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 162379664
5-(thiophene-2-carbonyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 23341008
2,3-dihydro-1H-indene-2-carboxamide;2,3-dihydro-1H-indene-2-carboxylic acid;2,3-dihydro-1H-inden-2-ylmethanamine
CID 158810121
7-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 105445994
6-amino-3,4-dihydro-2H-chromene-3-carboxamide
CID 43209471
1-(5-bromo-2,3-dihydro-1H-indene-2-carbonyl)piperidine-4-carboxamide
CID 84577497
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxamide
CID 102567437
N'-hydroxy-1,2,3,5,6,7-hexahydro-s-indacene-2-carboximidamide;hydrochloride
CID 173404793
6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 47170033
5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid
CID 18545807

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7-hexahydro-s-indacene-2,6-dicarboxamide?
The IUPAC name of 1,2,3,5,6,7-hexahydro-s-indacene-2,6-dicarboxamide (CID 132569005) is 1,2,3,5,6,7-hexahydro-s-indacene-2,6-dicarboxamide.
What is the SMILES notation for 1,2,3,5,6,7-hexahydro-s-indacene-2,6-dicarboxamide?
The canonical SMILES for 1,2,3,5,6,7-hexahydro-s-indacene-2,6-dicarboxamide is NC(=O)C1Cc2cc3c(cc2C1)CC(C(N)=O)C3.
What is the InChIKey of 1,2,3,5,6,7-hexahydro-s-indacene-2,6-dicarboxamide?
The InChIKey is PYZHCNDYXMTMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-13(17)11-3-7-1-8-4-12(14(16)18)6-10(8)2-9(7)5-11/h1-2,11-12H,3-6H2,(H2,15,17)(H2,16,18).
What are the key properties of 1,2,3,5,6,7-hexahydro-s-indacene-2,6-dicarboxamide?
1,2,3,5,6,7-hexahydro-s-indacene-2,6-dicarboxamide has a molecular weight of 244.29 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7-hexahydro-s-indacene-2,6-dicarboxamide is sourced from PubChem (CID 132569005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).