(4-formamido-5,6,7,8-tetrahydronaphthalen-1-yl)-methylcarbamic acid

C13H16N2O3 — CID 88844243

IUPAC(4-formamido-5,6,7,8-tetrahydronaphthalen-1-yl)-methylcarbamic acid
SMILESCN(C(=O)O)c1ccc(NC=O)c2c1CCCC2
InChIInChI=1S/C13H16N2O3/c1-15(13(17)18)12-7-6-11(14-8-16)9-4-2-3-5-10(9)12/h6-8H,2-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyAKTAYTBVIBOQTA-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.25
Rot. Bonds3

About (4-formamido-5,6,7,8-tetrahydronaphthalen-1-yl)-methylcarbamic acid

(4-formamido-5,6,7,8-tetrahydronaphthalen-1-yl)-methylcarbamic acid (PubChem CID 88844243) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (4-formamido-5,6,7,8-tetrahydronaphthalen-1-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(4-formamido-5,6,7,8-tetrahydronaphthalen-1-yl)-methylcarbamic acid
PubChem CID88844243
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(4-formamido-5,6,7,8-tetrahydronaphthalen-1-yl)-methylcarbamic acid
SMILESCN(C(=O)O)c1ccc(NC=O)c2c1CCCC2
InChIInChI=1S/C13H16N2O3/c1-15(13(17)18)12-7-6-11(14-8-16)9-4-2-3-5-10(9)12/h6-8H,2-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyAKTAYTBVIBOQTA-UHFFFAOYSA-N
XLogP2.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-formamido-5,6,7,8-tetrahydronaphthalen-1-yl)-methylcarbamic acid?
The IUPAC name of (4-formamido-5,6,7,8-tetrahydronaphthalen-1-yl)-methylcarbamic acid (CID 88844243) is (4-formamido-5,6,7,8-tetrahydronaphthalen-1-yl)-methylcarbamic acid.
What is the SMILES notation for (4-formamido-5,6,7,8-tetrahydronaphthalen-1-yl)-methylcarbamic acid?
The canonical SMILES for (4-formamido-5,6,7,8-tetrahydronaphthalen-1-yl)-methylcarbamic acid is CN(C(=O)O)c1ccc(NC=O)c2c1CCCC2.
What is the InChIKey of (4-formamido-5,6,7,8-tetrahydronaphthalen-1-yl)-methylcarbamic acid?
The InChIKey is AKTAYTBVIBOQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15(13(17)18)12-7-6-11(14-8-16)9-4-2-3-5-10(9)12/h6-8H,2-5H2,1H3,(H,14,16)(H,17,18).
What are the key properties of (4-formamido-5,6,7,8-tetrahydronaphthalen-1-yl)-methylcarbamic acid?
(4-formamido-5,6,7,8-tetrahydronaphthalen-1-yl)-methylcarbamic acid has a molecular weight of 248.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formamido-5,6,7,8-tetrahydronaphthalen-1-yl)-methylcarbamic acid is sourced from PubChem (CID 88844243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).