[5-(2-methylprop-2-enoylamino)naphthalen-1-yl]azanium

C14H15N2O+ — CID 140585854

IUPAC[5-(2-methylprop-2-enoylamino)naphthalen-1-yl]azanium
SMILESC=C(C)C(=O)Nc1cccc2c([NH3+])cccc12
InChIInChI=1S/C14H14N2O/c1-9(2)14(17)16-13-8-4-5-10-11(13)6-3-7-12(10)15/h3-8H,1,15H2,2H3,(H,16,17)/p+1
InChIKeyWWCUZJPEZYWFGP-UHFFFAOYSA-O
MW227.29 g/mol
LogP2.23
Rot. Bonds2

About [5-(2-methylprop-2-enoylamino)naphthalen-1-yl]azanium

[5-(2-methylprop-2-enoylamino)naphthalen-1-yl]azanium (PubChem CID 140585854) has the molecular formula C14H15N2O+ and a molecular weight of 227.29 g/mol. Its IUPAC name is [5-(2-methylprop-2-enoylamino)naphthalen-1-yl]azanium.

Molecular Properties

Compound Name[5-(2-methylprop-2-enoylamino)naphthalen-1-yl]azanium
PubChem CID140585854
Molecular FormulaC14H15N2O+
Molecular Weight227.29 g/mol
Exact Mass227.12
IUPAC Name[5-(2-methylprop-2-enoylamino)naphthalen-1-yl]azanium
SMILESC=C(C)C(=O)Nc1cccc2c([NH3+])cccc12
InChIInChI=1S/C14H14N2O/c1-9(2)14(17)16-13-8-4-5-10-11(13)6-3-7-12(10)15/h3-8H,1,15H2,2H3,(H,16,17)/p+1
InChIKeyWWCUZJPEZYWFGP-UHFFFAOYSA-O
XLogP2.23
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylprop-2-enoylamino)naphthalen-1-yl]azanium?
The IUPAC name of [5-(2-methylprop-2-enoylamino)naphthalen-1-yl]azanium (CID 140585854) is [5-(2-methylprop-2-enoylamino)naphthalen-1-yl]azanium.
What is the SMILES notation for [5-(2-methylprop-2-enoylamino)naphthalen-1-yl]azanium?
The canonical SMILES for [5-(2-methylprop-2-enoylamino)naphthalen-1-yl]azanium is C=C(C)C(=O)Nc1cccc2c([NH3+])cccc12.
What is the InChIKey of [5-(2-methylprop-2-enoylamino)naphthalen-1-yl]azanium?
The InChIKey is WWCUZJPEZYWFGP-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H14N2O/c1-9(2)14(17)16-13-8-4-5-10-11(13)6-3-7-12(10)15/h3-8H,1,15H2,2H3,(H,16,17)/p+1.
What are the key properties of [5-(2-methylprop-2-enoylamino)naphthalen-1-yl]azanium?
[5-(2-methylprop-2-enoylamino)naphthalen-1-yl]azanium has a molecular weight of 227.29 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylprop-2-enoylamino)naphthalen-1-yl]azanium is sourced from PubChem (CID 140585854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).