3-ethenyl-1,2,3,4-tetrahydronaphthalen-1-ol;formamide

C13H17NO2 — CID 19892826

IUPAC3-ethenyl-1,2,3,4-tetrahydronaphthalen-1-ol;formamide
SMILESC=CC1Cc2ccccc2C(O)C1.NC=O
InChIInChI=1S/C12H14O.CH3NO/c1-2-9-7-10-5-3-4-6-11(10)12(13)8-9;2-1-3/h2-6,9,12-13H,1,7-8H2;1H,(H2,2,3)
InChIKeyAPCHGFJMUZSGCZ-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.57
Rot. Bonds1

About 3-ethenyl-1,2,3,4-tetrahydronaphthalen-1-ol;formamide

3-ethenyl-1,2,3,4-tetrahydronaphthalen-1-ol;formamide (PubChem CID 19892826) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-ethenyl-1,2,3,4-tetrahydronaphthalen-1-ol;formamide.

Molecular Properties

Compound Name3-ethenyl-1,2,3,4-tetrahydronaphthalen-1-ol;formamide
PubChem CID19892826
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-ethenyl-1,2,3,4-tetrahydronaphthalen-1-ol;formamide
SMILESC=CC1Cc2ccccc2C(O)C1.NC=O
InChIInChI=1S/C12H14O.CH3NO/c1-2-9-7-10-5-3-4-6-11(10)12(13)8-9;2-1-3/h2-6,9,12-13H,1,7-8H2;1H,(H2,2,3)
InChIKeyAPCHGFJMUZSGCZ-UHFFFAOYSA-N
XLogP1.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,2,3,4-tetrahydronaphthalen-1-ol;formamide?
The IUPAC name of 3-ethenyl-1,2,3,4-tetrahydronaphthalen-1-ol;formamide (CID 19892826) is 3-ethenyl-1,2,3,4-tetrahydronaphthalen-1-ol;formamide.
What is the SMILES notation for 3-ethenyl-1,2,3,4-tetrahydronaphthalen-1-ol;formamide?
The canonical SMILES for 3-ethenyl-1,2,3,4-tetrahydronaphthalen-1-ol;formamide is C=CC1Cc2ccccc2C(O)C1.NC=O.
What is the InChIKey of 3-ethenyl-1,2,3,4-tetrahydronaphthalen-1-ol;formamide?
The InChIKey is APCHGFJMUZSGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O.CH3NO/c1-2-9-7-10-5-3-4-6-11(10)12(13)8-9;2-1-3/h2-6,9,12-13H,1,7-8H2;1H,(H2,2,3).
What are the key properties of 3-ethenyl-1,2,3,4-tetrahydronaphthalen-1-ol;formamide?
3-ethenyl-1,2,3,4-tetrahydronaphthalen-1-ol;formamide has a molecular weight of 219.28 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,2,3,4-tetrahydronaphthalen-1-ol;formamide is sourced from PubChem (CID 19892826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).