4'-amino-1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one

C15H17N3O — CID 79960846

IUPAC4'-amino-1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one
SMILESNC1=NC(=O)N(C2CC2)C12CCc1ccccc1C2
InChIInChI=1S/C15H17N3O/c16-13-15(18(12-5-6-12)14(19)17-13)8-7-10-3-1-2-4-11(10)9-15/h1-4,12H,5-9H2,(H2,16,17,19)
InChIKeyPAVWGIALKCLEES-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.87
Rot. Bonds1

About 4'-amino-1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one

4'-amino-1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one (PubChem CID 79960846) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4'-amino-1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one.

Molecular Properties

Compound Name4'-amino-1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one
PubChem CID79960846
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4'-amino-1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one
SMILESNC1=NC(=O)N(C2CC2)C12CCc1ccccc1C2
InChIInChI=1S/C15H17N3O/c16-13-15(18(12-5-6-12)14(19)17-13)8-7-10-3-1-2-4-11(10)9-15/h1-4,12H,5-9H2,(H2,16,17,19)
InChIKeyPAVWGIALKCLEES-UHFFFAOYSA-N
XLogP1.87
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4'-amino-1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one?
The IUPAC name of 4'-amino-1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one (CID 79960846) is 4'-amino-1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one.
What is the SMILES notation for 4'-amino-1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one?
The canonical SMILES for 4'-amino-1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one is NC1=NC(=O)N(C2CC2)C12CCc1ccccc1C2.
What is the InChIKey of 4'-amino-1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one?
The InChIKey is PAVWGIALKCLEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-13-15(18(12-5-6-12)14(19)17-13)8-7-10-3-1-2-4-11(10)9-15/h1-4,12H,5-9H2,(H2,16,17,19).
What are the key properties of 4'-amino-1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one?
4'-amino-1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one has a molecular weight of 255.32 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-amino-1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one is sourced from PubChem (CID 79960846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).