N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide

C11H13NO — CID 4165105

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide
SMILESO=CNC1CCCc2ccccc21
InChIInChI=1S/C11H13NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11H,3,5,7H2,(H,12,13)
InChIKeySXEPYAAYPZBIEE-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.81
Rot. Bonds2

About N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide

N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide (PubChem CID 4165105) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide
PubChem CID4165105
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide
SMILESO=CNC1CCCc2ccccc21
InChIInChI=1S/C11H13NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11H,3,5,7H2,(H,12,13)
InChIKeySXEPYAAYPZBIEE-UHFFFAOYSA-N
XLogP1.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.81
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-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide (CID 4165105) is N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide is O=CNC1CCCc2ccccc21.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide?
The InChIKey is SXEPYAAYPZBIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11H,3,5,7H2,(H,12,13).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide?
N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide has a molecular weight of 175.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide is sourced from PubChem (CID 4165105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).