4'-amino-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one

C16H19N3O — CID 79968014

IUPAC4'-amino-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one
SMILESNC1=NC(=O)N(CC2CC2)C12CCCc1ccccc12
InChIInChI=1S/C16H19N3O/c17-14-16(19(15(20)18-14)10-11-7-8-11)9-3-5-12-4-1-2-6-13(12)16/h1-2,4,6,11H,3,5,7-10H2,(H2,17,18,20)
InChIKeyZAMMWJBNWFZTJC-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.42
Rot. Bonds2

About 4'-amino-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one

4'-amino-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one (PubChem CID 79968014) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4'-amino-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one.

Molecular Properties

Compound Name4'-amino-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one
PubChem CID79968014
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4'-amino-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one
SMILESNC1=NC(=O)N(CC2CC2)C12CCCc1ccccc12
InChIInChI=1S/C16H19N3O/c17-14-16(19(15(20)18-14)10-11-7-8-11)9-3-5-12-4-1-2-6-13(12)16/h1-2,4,6,11H,3,5,7-10H2,(H2,17,18,20)
InChIKeyZAMMWJBNWFZTJC-UHFFFAOYSA-N
XLogP2.42
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79968201
4-amino-1-(cyclopropylmethyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967350
4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79985069
1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
CID 54586714
4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79967360
4'-amino-1'-cyclopropylspiro[1,3-dihydroisochromene-4,5'-imidazole]-2'-one
CID 107150426
4-amino-1-(cyclopropylmethyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79985558
4'-amino-1'-(cyclopropylmethyl)spiro[bicyclo[4.1.0]heptane-2,5'-imidazole]-2'-one
CID 112739896
4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
CID 138389334
(1-cyclopropyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
CID 104819342
5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63407550

Frequently Asked Questions

What is the IUPAC name of 4'-amino-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one?
The IUPAC name of 4'-amino-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one (CID 79968014) is 4'-amino-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one.
What is the SMILES notation for 4'-amino-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one?
The canonical SMILES for 4'-amino-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one is NC1=NC(=O)N(CC2CC2)C12CCCc1ccccc12.
What is the InChIKey of 4'-amino-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one?
The InChIKey is ZAMMWJBNWFZTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-14-16(19(15(20)18-14)10-11-7-8-11)9-3-5-12-4-1-2-6-13(12)16/h1-2,4,6,11H,3,5,7-10H2,(H2,17,18,20).
What are the key properties of 4'-amino-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one?
4'-amino-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one has a molecular weight of 269.35 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-amino-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one is sourced from PubChem (CID 79968014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).