N-(3,5-dihydro-2H-inden-4-yl)formamide

C10H11NO — CID 57137274

IUPACN-(3,5-dihydro-2H-inden-4-yl)formamide
SMILESO=CNC1=C2CCC=C2C=CC1
InChIInChI=1S/C10H11NO/c12-7-11-10-6-2-4-8-3-1-5-9(8)10/h2-4,7H,1,5-6H2,(H,11,12)
InChIKeyVUZRSXXXWRXPRN-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.67
Rot. Bonds2

About N-(3,5-dihydro-2H-inden-4-yl)formamide

N-(3,5-dihydro-2H-inden-4-yl)formamide (PubChem CID 57137274) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is N-(3,5-dihydro-2H-inden-4-yl)formamide.

Molecular Properties

Compound NameN-(3,5-dihydro-2H-inden-4-yl)formamide
PubChem CID57137274
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC NameN-(3,5-dihydro-2H-inden-4-yl)formamide
SMILESO=CNC1=C2CCC=C2C=CC1
InChIInChI=1S/C10H11NO/c12-7-11-10-6-2-4-8-3-1-5-9(8)10/h2-4,7H,1,5-6H2,(H,11,12)
InChIKeyVUZRSXXXWRXPRN-UHFFFAOYSA-N
XLogP1.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dihydro-2H-inden-4-yl)formamide?
The IUPAC name of N-(3,5-dihydro-2H-inden-4-yl)formamide (CID 57137274) is N-(3,5-dihydro-2H-inden-4-yl)formamide.
What is the SMILES notation for N-(3,5-dihydro-2H-inden-4-yl)formamide?
The canonical SMILES for N-(3,5-dihydro-2H-inden-4-yl)formamide is O=CNC1=C2CCC=C2C=CC1.
What is the InChIKey of N-(3,5-dihydro-2H-inden-4-yl)formamide?
The InChIKey is VUZRSXXXWRXPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c12-7-11-10-6-2-4-8-3-1-5-9(8)10/h2-4,7H,1,5-6H2,(H,11,12).
What are the key properties of N-(3,5-dihydro-2H-inden-4-yl)formamide?
N-(3,5-dihydro-2H-inden-4-yl)formamide has a molecular weight of 161.20 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dihydro-2H-inden-4-yl)formamide is sourced from PubChem (CID 57137274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).