1-(naphthalene-2-carbonyl)aziridine-2-carbonitrile

C14H10N2O — CID 23461432

IUPAC1-(naphthalene-2-carbonyl)aziridine-2-carbonitrile
SMILESN#CC1CN1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H10N2O/c15-8-13-9-16(13)14(17)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13H,9H2
InChIKeyYULQACBMHKIZLQ-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.19
Rot. Bonds1

About 1-(naphthalene-2-carbonyl)aziridine-2-carbonitrile

1-(naphthalene-2-carbonyl)aziridine-2-carbonitrile (PubChem CID 23461432) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(naphthalene-2-carbonyl)aziridine-2-carbonitrile.

Molecular Properties

Compound Name1-(naphthalene-2-carbonyl)aziridine-2-carbonitrile
PubChem CID23461432
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name1-(naphthalene-2-carbonyl)aziridine-2-carbonitrile
SMILESN#CC1CN1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H10N2O/c15-8-13-9-16(13)14(17)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13H,9H2
InChIKeyYULQACBMHKIZLQ-UHFFFAOYSA-N
XLogP2.19
TPSA43.87 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalene-2-carbonyl)aziridine-2-carbonitrile?
The IUPAC name of 1-(naphthalene-2-carbonyl)aziridine-2-carbonitrile (CID 23461432) is 1-(naphthalene-2-carbonyl)aziridine-2-carbonitrile.
What is the SMILES notation for 1-(naphthalene-2-carbonyl)aziridine-2-carbonitrile?
The canonical SMILES for 1-(naphthalene-2-carbonyl)aziridine-2-carbonitrile is N#CC1CN1C(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-(naphthalene-2-carbonyl)aziridine-2-carbonitrile?
The InChIKey is YULQACBMHKIZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c15-8-13-9-16(13)14(17)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13H,9H2.
What are the key properties of 1-(naphthalene-2-carbonyl)aziridine-2-carbonitrile?
1-(naphthalene-2-carbonyl)aziridine-2-carbonitrile has a molecular weight of 222.25 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalene-2-carbonyl)aziridine-2-carbonitrile is sourced from PubChem (CID 23461432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).