N-[(1R)-1,2,3,4,7,8-hexahydronaphthalen-1-yl]formamide

C11H15NO — CID 88946976

IUPACN-[(1R)-1,2,3,4,7,8-hexahydronaphthalen-1-yl]formamide
SMILESO=CN[C@@H]1CCCC2=C1CCC=C2
InChIInChI=1S/C11H15NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1,4,8,11H,2-3,5-7H2,(H,12,13)/t11-/m1/s1
InChIKeyOBFZXWRZZNIHAC-LLVKDONJSA-N
MW177.25 g/mol
LogP1.93
Rot. Bonds2

About N-[(1R)-1,2,3,4,7,8-hexahydronaphthalen-1-yl]formamide

N-[(1R)-1,2,3,4,7,8-hexahydronaphthalen-1-yl]formamide (PubChem CID 88946976) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(1R)-1,2,3,4,7,8-hexahydronaphthalen-1-yl]formamide.

Molecular Properties

Compound NameN-[(1R)-1,2,3,4,7,8-hexahydronaphthalen-1-yl]formamide
PubChem CID88946976
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-[(1R)-1,2,3,4,7,8-hexahydronaphthalen-1-yl]formamide
SMILESO=CN[C@@H]1CCCC2=C1CCC=C2
InChIInChI=1S/C11H15NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1,4,8,11H,2-3,5-7H2,(H,12,13)/t11-/m1/s1
InChIKeyOBFZXWRZZNIHAC-LLVKDONJSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.93
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-[(1R)-1,2,3,4,7,8-hexahydronaphthalen-1-yl]formamide?
The IUPAC name of N-[(1R)-1,2,3,4,7,8-hexahydronaphthalen-1-yl]formamide (CID 88946976) is N-[(1R)-1,2,3,4,7,8-hexahydronaphthalen-1-yl]formamide.
What is the SMILES notation for N-[(1R)-1,2,3,4,7,8-hexahydronaphthalen-1-yl]formamide?
The canonical SMILES for N-[(1R)-1,2,3,4,7,8-hexahydronaphthalen-1-yl]formamide is O=CN[C@@H]1CCCC2=C1CCC=C2.
What is the InChIKey of N-[(1R)-1,2,3,4,7,8-hexahydronaphthalen-1-yl]formamide?
The InChIKey is OBFZXWRZZNIHAC-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1,4,8,11H,2-3,5-7H2,(H,12,13)/t11-/m1/s1.
What are the key properties of N-[(1R)-1,2,3,4,7,8-hexahydronaphthalen-1-yl]formamide?
N-[(1R)-1,2,3,4,7,8-hexahydronaphthalen-1-yl]formamide has a molecular weight of 177.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,2,3,4,7,8-hexahydronaphthalen-1-yl]formamide is sourced from PubChem (CID 88946976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).