sodium [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl]azanide

C14H16NNaO — CID 175793204

IUPACsodium [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl]azanide
SMILES[NH-]C(=O)Cc1c2c(cc3c1CCC3)CCC2.[Na+]
InChIInChI=1S/C14H17NO.Na/c15-14(16)8-13-11-5-1-3-9(11)7-10-4-2-6-12(10)13;/h7H,1-6,8H2,(H2,15,16);/q;+1/p-1
InChIKeyXFYQSIFAAWUWOT-UHFFFAOYSA-M
MW237.28 g/mol
LogP-0.21
Rot. Bonds2

About sodium [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl]azanide

sodium [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl]azanide (PubChem CID 175793204) has the molecular formula C14H16NNaO and a molecular weight of 237.28 g/mol. Its IUPAC name is sodium [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl]azanide.

Molecular Properties

Compound Namesodium [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl]azanide
PubChem CID175793204
Molecular FormulaC14H16NNaO
Molecular Weight237.28 g/mol
Exact Mass237.11
IUPAC Namesodium [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl]azanide
SMILES[NH-]C(=O)Cc1c2c(cc3c1CCC3)CCC2.[Na+]
InChIInChI=1S/C14H17NO.Na/c15-14(16)8-13-11-5-1-3-9(11)7-10-4-2-6-12(10)13;/h7H,1-6,8H2,(H2,15,16);/q;+1/p-1
InChIKeyXFYQSIFAAWUWOT-UHFFFAOYSA-M
XLogP-0.21
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)acetyl chloride
CID 155390015
4-propyl-1,2,3,5,6,7-hexahydro-s-indacene
CID 142529485
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-3-oxopropanoic acid
CID 162650421
4,6-dibutyl-2,3-dihydro-1H-inden-5-ol
CID 154132660
N-[amino-[[1-(2-hydroxypropan-2-yl)cyclopropyl]methyl]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
CID 165015685
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-[(2R)-pyrrolidin-2-yl]ethenyl]sulfonylpropan-2-one
CID 165052131
1-[1-(dimethylamino)propan-2-yl-methylamino]sulfanyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 146395361
N-[amino-[4-(dimethylamino)cyclohexyl]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
CID 164949578
(E)-but-2-enedioic acid;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxy)-N-methylmethanamine
CID 6446883
N-[amino-(2-methyl-2-pyrrolidin-2-ylpropyl)-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
CID 165062365
2-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid
CID 18770874
1-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-one
CID 158485023

Frequently Asked Questions

What is the IUPAC name of sodium [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl]azanide?
The IUPAC name of sodium [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl]azanide (CID 175793204) is sodium [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl]azanide.
What is the SMILES notation for sodium [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl]azanide?
The canonical SMILES for sodium [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl]azanide is [NH-]C(=O)Cc1c2c(cc3c1CCC3)CCC2.[Na+].
What is the InChIKey of sodium [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl]azanide?
The InChIKey is XFYQSIFAAWUWOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H17NO.Na/c15-14(16)8-13-11-5-1-3-9(11)7-10-4-2-6-12(10)13;/h7H,1-6,8H2,(H2,15,16);/q;+1/p-1.
What are the key properties of sodium [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl]azanide?
sodium [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl]azanide has a molecular weight of 237.28 g/mol, XLogP of -0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl]azanide is sourced from PubChem (CID 175793204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).