N-[(E)-2-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethenyl]formamide

C14H17NO2 — CID 15029614

IUPACN-[(E)-2-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethenyl]formamide
SMILESCOc1ccc2c(c1/C=C/NC=O)CCCC2
InChIInChI=1S/C14H17NO2/c1-17-14-7-6-11-4-2-3-5-12(11)13(14)8-9-15-10-16/h6-10H,2-5H2,1H3,(H,15,16)/b9-8+
InChIKeySLJGYCHFMUXSFP-CMDGGOBGSA-N
MW231.30 g/mol
LogP2.29
Rot. Bonds4

About N-[(E)-2-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethenyl]formamide

N-[(E)-2-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethenyl]formamide (PubChem CID 15029614) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(E)-2-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethenyl]formamide.

Molecular Properties

Compound NameN-[(E)-2-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethenyl]formamide
PubChem CID15029614
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC NameN-[(E)-2-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethenyl]formamide
SMILESCOc1ccc2c(c1/C=C/NC=O)CCCC2
InChIInChI=1S/C14H17NO2/c1-17-14-7-6-11-4-2-3-5-12(11)13(14)8-9-15-10-16/h6-10H,2-5H2,1H3,(H,15,16)/b9-8+
InChIKeySLJGYCHFMUXSFP-CMDGGOBGSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
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 N-[(E)-2-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethenyl]formamide?
The IUPAC name of N-[(E)-2-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethenyl]formamide (CID 15029614) is N-[(E)-2-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethenyl]formamide.
What is the SMILES notation for N-[(E)-2-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethenyl]formamide?
The canonical SMILES for N-[(E)-2-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethenyl]formamide is COc1ccc2c(c1/C=C/NC=O)CCCC2.
What is the InChIKey of N-[(E)-2-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethenyl]formamide?
The InChIKey is SLJGYCHFMUXSFP-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H17NO2/c1-17-14-7-6-11-4-2-3-5-12(11)13(14)8-9-15-10-16/h6-10H,2-5H2,1H3,(H,15,16)/b9-8+.
What are the key properties of N-[(E)-2-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethenyl]formamide?
N-[(E)-2-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethenyl]formamide has a molecular weight of 231.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethenyl]formamide is sourced from PubChem (CID 15029614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).