4'-amino-1'-cyclopropylspiro[1,3-dihydroisochromene-4,5'-imidazole]-2'-one

C14H15N3O2 — CID 107150426

IUPAC4'-amino-1'-cyclopropylspiro[1,3-dihydroisochromene-4,5'-imidazole]-2'-one
SMILESNC1=NC(=O)N(C2CC2)C12COCc1ccccc12
InChIInChI=1S/C14H15N3O2/c15-12-14(17(10-5-6-10)13(18)16-12)8-19-7-9-3-1-2-4-11(9)14/h1-4,10H,5-8H2,(H2,15,16,18)
InChIKeyPSASJRQVHRDKEY-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.37
Rot. Bonds1

About 4'-amino-1'-cyclopropylspiro[1,3-dihydroisochromene-4,5'-imidazole]-2'-one

4'-amino-1'-cyclopropylspiro[1,3-dihydroisochromene-4,5'-imidazole]-2'-one (PubChem CID 107150426) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4'-amino-1'-cyclopropylspiro[1,3-dihydroisochromene-4,5'-imidazole]-2'-one.

Molecular Properties

Compound Name4'-amino-1'-cyclopropylspiro[1,3-dihydroisochromene-4,5'-imidazole]-2'-one
PubChem CID107150426
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4'-amino-1'-cyclopropylspiro[1,3-dihydroisochromene-4,5'-imidazole]-2'-one
SMILESNC1=NC(=O)N(C2CC2)C12COCc1ccccc12
InChIInChI=1S/C14H15N3O2/c15-12-14(17(10-5-6-10)13(18)16-12)8-19-7-9-3-1-2-4-11(9)14/h1-4,10H,5-8H2,(H2,15,16,18)
InChIKeyPSASJRQVHRDKEY-UHFFFAOYSA-N
XLogP1.37
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4'-amino-1'-cyclopropylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one
CID 79960470
4'-amino-1'-cyclopropyl-6-hydroxyspiro[2H-1-benzofuran-3,5'-imidazole]-2'-one
CID 79960640
4'-amino-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one
CID 79968014
5'-ethylspiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-2'-one
CID 107150400
4'-amino-1'-but-3-yn-2-yl-3-methylspiro[2,3-dihydrochromene-4,5'-imidazole]-2'-one
CID 114420896
4-amino-1-benzyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967312
4'-amino-1'-propan-2-ylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-2'-one
CID 79968138
4-amino-1-cyclopropyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one
CID 79961387
2'-sulfanylidenespiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one
CID 107150443
4-amino-1-cyclopropyl-7-ethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961206
4'-amino-1'-methylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-2'-one
CID 79961632
4'-amino-1'-(2-methoxyethyl)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one
CID 115420968

Frequently Asked Questions

What is the IUPAC name of 4'-amino-1'-cyclopropylspiro[1,3-dihydroisochromene-4,5'-imidazole]-2'-one?
The IUPAC name of 4'-amino-1'-cyclopropylspiro[1,3-dihydroisochromene-4,5'-imidazole]-2'-one (CID 107150426) is 4'-amino-1'-cyclopropylspiro[1,3-dihydroisochromene-4,5'-imidazole]-2'-one.
What is the SMILES notation for 4'-amino-1'-cyclopropylspiro[1,3-dihydroisochromene-4,5'-imidazole]-2'-one?
The canonical SMILES for 4'-amino-1'-cyclopropylspiro[1,3-dihydroisochromene-4,5'-imidazole]-2'-one is NC1=NC(=O)N(C2CC2)C12COCc1ccccc12.
What is the InChIKey of 4'-amino-1'-cyclopropylspiro[1,3-dihydroisochromene-4,5'-imidazole]-2'-one?
The InChIKey is PSASJRQVHRDKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-12-14(17(10-5-6-10)13(18)16-12)8-19-7-9-3-1-2-4-11(9)14/h1-4,10H,5-8H2,(H2,15,16,18).
What are the key properties of 4'-amino-1'-cyclopropylspiro[1,3-dihydroisochromene-4,5'-imidazole]-2'-one?
4'-amino-1'-cyclopropylspiro[1,3-dihydroisochromene-4,5'-imidazole]-2'-one has a molecular weight of 257.29 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-amino-1'-cyclopropylspiro[1,3-dihydroisochromene-4,5'-imidazole]-2'-one is sourced from PubChem (CID 107150426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).