spiro[1,4-dihydroimidazole-5,3'-2,4-dihydrochromene]

C11H12N2O — CID 19919894

IUPACspiro[1,4-dihydroimidazole-5,3'-2,4-dihydrochromene]
SMILESC1=NCC2(COc3ccccc3C2)N1
InChIInChI=1S/C11H12N2O/c1-2-4-10-9(3-1)5-11(7-14-10)6-12-8-13-11/h1-4,8H,5-7H2,(H,12,13)
InChIKeyQACLOABNNXKSBA-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.99
Rot. Bonds

About spiro[1,4-dihydroimidazole-5,3'-2,4-dihydrochromene]

spiro[1,4-dihydroimidazole-5,3'-2,4-dihydrochromene] (PubChem CID 19919894) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is spiro[1,4-dihydroimidazole-5,3'-2,4-dihydrochromene].

Molecular Properties

Compound Namespiro[1,4-dihydroimidazole-5,3'-2,4-dihydrochromene]
PubChem CID19919894
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Namespiro[1,4-dihydroimidazole-5,3'-2,4-dihydrochromene]
SMILESC1=NCC2(COc3ccccc3C2)N1
InChIInChI=1S/C11H12N2O/c1-2-4-10-9(3-1)5-11(7-14-10)6-12-8-13-11/h1-4,8H,5-7H2,(H,12,13)
InChIKeyQACLOABNNXKSBA-UHFFFAOYSA-N
XLogP0.99
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-but-2-enedioic acid;spiro[1,4-dihydroimidazole-5,3'-2,4-dihydrochromene]
CID 19919893
spiro[2,4-dihydrochromene-3,5'-pyrrolidine]-2'-one
CID 10560073
(3S)-3-methyl-2,4-dihydrochromen-3-ol
CID 163222084
3-methyl-2,4-dihydrochromen-3-ol
CID 71345229
spiro[2,4-dihydrochromene-3,4'-piperidine]
CID 15187048
3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde
CID 130632278
[(3R)-3-methyl-2,4-dihydrochromen-3-yl]methanol
CID 132962049
3-bromo-2,4-dihydrochromene-3-carbonitrile
CID 131107497
3-prop-1-ynyl-2,4-dihydrochromen-3-ol
CID 130605047
3-amino-2,4-dihydrochromene-3-carbonitrile;hydrochloride
CID 122164502
3,3-dibromo-2H-1-benzofuran
CID 70451620
2'-(chloromethyl)spiro[2,4-dihydrochromene-3,1'-cyclopropane]
CID 130840671

Frequently Asked Questions

What is the IUPAC name of spiro[1,4-dihydroimidazole-5,3'-2,4-dihydrochromene]?
The IUPAC name of spiro[1,4-dihydroimidazole-5,3'-2,4-dihydrochromene] (CID 19919894) is spiro[1,4-dihydroimidazole-5,3'-2,4-dihydrochromene].
What is the SMILES notation for spiro[1,4-dihydroimidazole-5,3'-2,4-dihydrochromene]?
The canonical SMILES for spiro[1,4-dihydroimidazole-5,3'-2,4-dihydrochromene] is C1=NCC2(COc3ccccc3C2)N1.
What is the InChIKey of spiro[1,4-dihydroimidazole-5,3'-2,4-dihydrochromene]?
The InChIKey is QACLOABNNXKSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-4-10-9(3-1)5-11(7-14-10)6-12-8-13-11/h1-4,8H,5-7H2,(H,12,13).
What are the key properties of spiro[1,4-dihydroimidazole-5,3'-2,4-dihydrochromene]?
spiro[1,4-dihydroimidazole-5,3'-2,4-dihydrochromene] has a molecular weight of 188.23 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,4-dihydroimidazole-5,3'-2,4-dihydrochromene] is sourced from PubChem (CID 19919894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).