4'-imino-6-methoxy-1'-prop-2-ynylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one

C16H17N3O2 — CID 138390965

IUPAC4'-imino-6-methoxy-1'-prop-2-ynylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(CC#C)C12CCCc1ccc(OC)cc12
InChIInChI=1S/C16H17N3O2/c1-3-9-19-15(20)18-14(17)16(19)8-4-5-11-6-7-12(21-2)10-13(11)16/h1,6-7,10H,4-5,8-9H2,2H3,(H2,17,18,20)
InChIKeyWXRGYEBDONGKBI-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.86
Rot. Bonds2

About 4'-imino-6-methoxy-1'-prop-2-ynylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one

4'-imino-6-methoxy-1'-prop-2-ynylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one (PubChem CID 138390965) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4'-imino-6-methoxy-1'-prop-2-ynylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one.

Molecular Properties

Compound Name4'-imino-6-methoxy-1'-prop-2-ynylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
PubChem CID138390965
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4'-imino-6-methoxy-1'-prop-2-ynylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(CC#C)C12CCCc1ccc(OC)cc12
InChIInChI=1S/C16H17N3O2/c1-3-9-19-15(20)18-14(17)16(19)8-4-5-11-6-7-12(21-2)10-13(11)16/h1,6-7,10H,4-5,8-9H2,2H3,(H2,17,18,20)
InChIKeyWXRGYEBDONGKBI-UHFFFAOYSA-N
XLogP1.86
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
CID 138389334
5-cyclopropyl-4-imino-5-(methoxymethyl)-1-prop-2-ynylimidazolidin-2-one
CID 138391167
4'-imino-1'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
CID 138389883
1-(aminomethyl)-7-methoxy-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine
CID 79247899
1-(cyanomethyl)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 12629985
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
1-(aminomethyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 79248766
6-bromo-4'-imino-1'-propylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
CID 138391298
6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol
CID 113374241
1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248291
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760
1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374777

Frequently Asked Questions

What is the IUPAC name of 4'-imino-6-methoxy-1'-prop-2-ynylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one?
The IUPAC name of 4'-imino-6-methoxy-1'-prop-2-ynylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one (CID 138390965) is 4'-imino-6-methoxy-1'-prop-2-ynylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one.
What is the SMILES notation for 4'-imino-6-methoxy-1'-prop-2-ynylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one?
The canonical SMILES for 4'-imino-6-methoxy-1'-prop-2-ynylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one is [H]/N=C1\NC(=O)N(CC#C)C12CCCc1ccc(OC)cc12.
What is the InChIKey of 4'-imino-6-methoxy-1'-prop-2-ynylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one?
The InChIKey is WXRGYEBDONGKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-9-19-15(20)18-14(17)16(19)8-4-5-11-6-7-12(21-2)10-13(11)16/h1,6-7,10H,4-5,8-9H2,2H3,(H2,17,18,20).
What are the key properties of 4'-imino-6-methoxy-1'-prop-2-ynylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one?
4'-imino-6-methoxy-1'-prop-2-ynylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one has a molecular weight of 283.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-imino-6-methoxy-1'-prop-2-ynylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one is sourced from PubChem (CID 138390965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).