4'-amino-1'-(cyclopropylmethyl)spiro[bicyclo[4.1.0]heptane-2,5'-imidazole]-2'-one

C13H19N3O — CID 112739896

IUPAC4'-amino-1'-(cyclopropylmethyl)spiro[bicyclo[4.1.0]heptane-2,5'-imidazole]-2'-one
SMILESNC1=NC(=O)N(CC2CC2)C12CCCC1CC12
InChIInChI=1S/C13H19N3O/c14-11-13(5-1-2-9-6-10(9)13)16(12(17)15-11)7-8-3-4-8/h8-10H,1-7H2,(H2,14,15,17)
InChIKeyYLPYIGBURPBZPM-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.75
Rot. Bonds2

About 4'-amino-1'-(cyclopropylmethyl)spiro[bicyclo[4.1.0]heptane-2,5'-imidazole]-2'-one

4'-amino-1'-(cyclopropylmethyl)spiro[bicyclo[4.1.0]heptane-2,5'-imidazole]-2'-one (PubChem CID 112739896) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4'-amino-1'-(cyclopropylmethyl)spiro[bicyclo[4.1.0]heptane-2,5'-imidazole]-2'-one.

Molecular Properties

Compound Name4'-amino-1'-(cyclopropylmethyl)spiro[bicyclo[4.1.0]heptane-2,5'-imidazole]-2'-one
PubChem CID112739896
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4'-amino-1'-(cyclopropylmethyl)spiro[bicyclo[4.1.0]heptane-2,5'-imidazole]-2'-one
SMILESNC1=NC(=O)N(CC2CC2)C12CCCC1CC12
InChIInChI=1S/C13H19N3O/c14-11-13(5-1-2-9-6-10(9)13)16(12(17)15-11)7-8-3-4-8/h8-10H,1-7H2,(H2,14,15,17)
InChIKeyYLPYIGBURPBZPM-UHFFFAOYSA-N
XLogP1.75
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79968201
4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79967360
4-amino-1-(cyclopropylmethyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79985558
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
4'-amino-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one
CID 79968014
4-amino-1-(cyclopropylmethyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79985561
4-amino-1,8-diethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961824
4-amino-1-cyclopropyl-7-ethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961206
4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79961054
4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967912
4'-amino-1'-benzylspiro[1,2,3,5,6,8-hexahydropyrrolizine-7,5'-imidazole]-2'-one
CID 82855845

Frequently Asked Questions

What is the IUPAC name of 4'-amino-1'-(cyclopropylmethyl)spiro[bicyclo[4.1.0]heptane-2,5'-imidazole]-2'-one?
The IUPAC name of 4'-amino-1'-(cyclopropylmethyl)spiro[bicyclo[4.1.0]heptane-2,5'-imidazole]-2'-one (CID 112739896) is 4'-amino-1'-(cyclopropylmethyl)spiro[bicyclo[4.1.0]heptane-2,5'-imidazole]-2'-one.
What is the SMILES notation for 4'-amino-1'-(cyclopropylmethyl)spiro[bicyclo[4.1.0]heptane-2,5'-imidazole]-2'-one?
The canonical SMILES for 4'-amino-1'-(cyclopropylmethyl)spiro[bicyclo[4.1.0]heptane-2,5'-imidazole]-2'-one is NC1=NC(=O)N(CC2CC2)C12CCCC1CC12.
What is the InChIKey of 4'-amino-1'-(cyclopropylmethyl)spiro[bicyclo[4.1.0]heptane-2,5'-imidazole]-2'-one?
The InChIKey is YLPYIGBURPBZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-11-13(5-1-2-9-6-10(9)13)16(12(17)15-11)7-8-3-4-8/h8-10H,1-7H2,(H2,14,15,17).
What are the key properties of 4'-amino-1'-(cyclopropylmethyl)spiro[bicyclo[4.1.0]heptane-2,5'-imidazole]-2'-one?
4'-amino-1'-(cyclopropylmethyl)spiro[bicyclo[4.1.0]heptane-2,5'-imidazole]-2'-one has a molecular weight of 233.31 g/mol, XLogP of 1.75, 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[bicyclo[4.1.0]heptane-2,5'-imidazole]-2'-one is sourced from PubChem (CID 112739896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).