6-oxaspiro[4.5]decan-9-yl 4-amino-1-methylpyrrole-2-carboxylate

C15H22N2O3 — CID 79912174

IUPAC6-oxaspiro[4.5]decan-9-yl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCn1cc(N)cc1C(=O)OC1CCOC2(CCCC2)C1
InChIInChI=1S/C15H22N2O3/c1-17-10-11(16)8-13(17)14(18)20-12-4-7-19-15(9-12)5-2-3-6-15/h8,10,12H,2-7,9,16H2,1H3
InChIKeyNYDHPZUBUIOGEG-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.26
Rot. Bonds2

About 6-oxaspiro[4.5]decan-9-yl 4-amino-1-methylpyrrole-2-carboxylate

6-oxaspiro[4.5]decan-9-yl 4-amino-1-methylpyrrole-2-carboxylate (PubChem CID 79912174) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 6-oxaspiro[4.5]decan-9-yl 4-amino-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name6-oxaspiro[4.5]decan-9-yl 4-amino-1-methylpyrrole-2-carboxylate
PubChem CID79912174
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name6-oxaspiro[4.5]decan-9-yl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCn1cc(N)cc1C(=O)OC1CCOC2(CCCC2)C1
InChIInChI=1S/C15H22N2O3/c1-17-10-11(16)8-13(17)14(18)20-12-4-7-19-15(9-12)5-2-3-6-15/h8,10,12H,2-7,9,16H2,1H3
InChIKeyNYDHPZUBUIOGEG-UHFFFAOYSA-N
XLogP2.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-oxa-9-thiaspiro[5.5]undecan-4-yl 4-amino-1-methylpyrrole-2-carboxylate
CID 79908990
5-oxaspiro[3.5]nonan-8-yl 4-amino-1-ethylpyrrole-2-carboxylate
CID 79911044
6-oxaspiro[4.5]decan-9-yl 4-amino-2-methylbenzoate
CID 79909247
5-oxaspiro[3.5]nonan-8-yl 5-amino-2-methoxybenzoate
CID 79908727
(3-methylcyclohexyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 61310267
methyl 5-amino-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoate
CID 106955854
4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904831
2,6-dioxaspiro[4.5]decan-9-yl 5-amino-2-fluorobenzoate
CID 79909001
4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79904986
3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904555
[(5R,8S)-1-oxaspiro[4.4]nonan-8-yl] carbamate
CID 142807025
cyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61309615

Frequently Asked Questions

What is the IUPAC name of 6-oxaspiro[4.5]decan-9-yl 4-amino-1-methylpyrrole-2-carboxylate?
The IUPAC name of 6-oxaspiro[4.5]decan-9-yl 4-amino-1-methylpyrrole-2-carboxylate (CID 79912174) is 6-oxaspiro[4.5]decan-9-yl 4-amino-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for 6-oxaspiro[4.5]decan-9-yl 4-amino-1-methylpyrrole-2-carboxylate?
The canonical SMILES for 6-oxaspiro[4.5]decan-9-yl 4-amino-1-methylpyrrole-2-carboxylate is Cn1cc(N)cc1C(=O)OC1CCOC2(CCCC2)C1.
What is the InChIKey of 6-oxaspiro[4.5]decan-9-yl 4-amino-1-methylpyrrole-2-carboxylate?
The InChIKey is NYDHPZUBUIOGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17-10-11(16)8-13(17)14(18)20-12-4-7-19-15(9-12)5-2-3-6-15/h8,10,12H,2-7,9,16H2,1H3.
What are the key properties of 6-oxaspiro[4.5]decan-9-yl 4-amino-1-methylpyrrole-2-carboxylate?
6-oxaspiro[4.5]decan-9-yl 4-amino-1-methylpyrrole-2-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxaspiro[4.5]decan-9-yl 4-amino-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 79912174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).