(1-carbamoylnaphthalen-2-yl) formate

C12H9NO3 — CID 91361931

IUPAC(1-carbamoylnaphthalen-2-yl) formate
SMILESNC(=O)c1c(OC=O)ccc2ccccc12
InChIInChI=1S/C12H9NO3/c13-12(15)11-9-4-2-1-3-8(9)5-6-10(11)16-7-14/h1-7H,(H2,13,15)
InChIKeySZXZFZUDKYVRSP-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.47
Rot. Bonds3

About (1-carbamoylnaphthalen-2-yl) formate

(1-carbamoylnaphthalen-2-yl) formate (PubChem CID 91361931) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is (1-carbamoylnaphthalen-2-yl) formate.

Molecular Properties

Compound Name(1-carbamoylnaphthalen-2-yl) formate
PubChem CID91361931
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name(1-carbamoylnaphthalen-2-yl) formate
SMILESNC(=O)c1c(OC=O)ccc2ccccc12
InChIInChI=1S/C12H9NO3/c13-12(15)11-9-4-2-1-3-8(9)5-6-10(11)16-7-14/h1-7H,(H2,13,15)
InChIKeySZXZFZUDKYVRSP-UHFFFAOYSA-N
XLogP1.47
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-methoxynaphthalen-2-yl) formate
CID 19815208
15-tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11(16),12,14-octaenyl formate
CID 91073477
2-(2-amino-2-oxoethoxy)naphthalene-1-carboxylic acid
CID 964401
CID 58090275
CID 58090275
2-(3-amino-3-oxopropoxy)naphthalene-1-carboxylic acid
CID 43505650
(1-formylnaphthalen-2-yl) acetate
CID 2063426
2-methoxynaphthalene-1-carbonyl chloride
CID 3016662
[amino-(2-methoxynaphthalen-1-yl)methylidene]azanium
CID 6347163
perylen-1-yl formate
CID 57302051
2-diethoxyphosphorylnaphthalene-1-carboxamide
CID 162351368
naphthalene-1,2-dicarboxamide;tetrazine
CID 175558272
2-(3,3,3-trifluoro-2-oxopropyl)naphthalene-1-carboxamide
CID 140578779

Frequently Asked Questions

What is the IUPAC name of (1-carbamoylnaphthalen-2-yl) formate?
The IUPAC name of (1-carbamoylnaphthalen-2-yl) formate (CID 91361931) is (1-carbamoylnaphthalen-2-yl) formate.
What is the SMILES notation for (1-carbamoylnaphthalen-2-yl) formate?
The canonical SMILES for (1-carbamoylnaphthalen-2-yl) formate is NC(=O)c1c(OC=O)ccc2ccccc12.
What is the InChIKey of (1-carbamoylnaphthalen-2-yl) formate?
The InChIKey is SZXZFZUDKYVRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c13-12(15)11-9-4-2-1-3-8(9)5-6-10(11)16-7-14/h1-7H,(H2,13,15).
What are the key properties of (1-carbamoylnaphthalen-2-yl) formate?
(1-carbamoylnaphthalen-2-yl) formate has a molecular weight of 215.21 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoylnaphthalen-2-yl) formate is sourced from PubChem (CID 91361931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).