7-methoxy-1'-methyl-6-nitrospiro[chromene-2,4'-piperidine]

C15H18N2O4 — CID 86661698

IUPAC7-methoxy-1'-methyl-6-nitrospiro[chromene-2,4'-piperidine]
SMILESCOc1cc2c(cc1[N+](=O)[O-])C=CC1(CCN(C)CC1)O2
InChIInChI=1S/C15H18N2O4/c1-16-7-5-15(6-8-16)4-3-11-9-12(17(18)19)14(20-2)10-13(11)21-15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyLTDKWVZWDUTBFY-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.47
Rot. Bonds2

About 7-methoxy-1'-methyl-6-nitrospiro[chromene-2,4'-piperidine]

7-methoxy-1'-methyl-6-nitrospiro[chromene-2,4'-piperidine] (PubChem CID 86661698) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 7-methoxy-1'-methyl-6-nitrospiro[chromene-2,4'-piperidine].

Molecular Properties

Compound Name7-methoxy-1'-methyl-6-nitrospiro[chromene-2,4'-piperidine]
PubChem CID86661698
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name7-methoxy-1'-methyl-6-nitrospiro[chromene-2,4'-piperidine]
SMILESCOc1cc2c(cc1[N+](=O)[O-])C=CC1(CCN(C)CC1)O2
InChIInChI=1S/C15H18N2O4/c1-16-7-5-15(6-8-16)4-3-11-9-12(17(18)19)14(20-2)10-13(11)21-15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyLTDKWVZWDUTBFY-UHFFFAOYSA-N
XLogP2.47
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-1',3',3',5'-tetramethyl-6-nitrospiro[chromene-2,2'-indole]
CID 19084028
7-methoxy-2-methyl-6-nitro-1H-isoquinoline
CID 138580919
1'-methylspiro[chromene-2,4'-piperidine]-6-amine
CID 57416098
2-(6-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046777
6-methoxy-2,4,4-trimethyl-7-nitro-1,3-dihydroisoquinoline
CID 164568695
2-(7-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
CID 82046694
7-(2-bromo-5-methoxy-4-nitrophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane
CID 154588578
4-(3-methoxy-4-nitrophenyl)-1-methylpiperidine
CID 83404378
7-methoxyspiro[chromene-2,1'-cycloheptane]
CID 15081060
3-nitro-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)benzenesulfonamide
CID 108773029
5-methoxy-1,3-dimethyl-6-nitrobenzimidazol-2-one
CID 752226
5-methoxy-6-nitro-2,3-dihydro-1H-isoindole;hydrochloride
CID 177238657

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1'-methyl-6-nitrospiro[chromene-2,4'-piperidine]?
The IUPAC name of 7-methoxy-1'-methyl-6-nitrospiro[chromene-2,4'-piperidine] (CID 86661698) is 7-methoxy-1'-methyl-6-nitrospiro[chromene-2,4'-piperidine].
What is the SMILES notation for 7-methoxy-1'-methyl-6-nitrospiro[chromene-2,4'-piperidine]?
The canonical SMILES for 7-methoxy-1'-methyl-6-nitrospiro[chromene-2,4'-piperidine] is COc1cc2c(cc1[N+](=O)[O-])C=CC1(CCN(C)CC1)O2.
What is the InChIKey of 7-methoxy-1'-methyl-6-nitrospiro[chromene-2,4'-piperidine]?
The InChIKey is LTDKWVZWDUTBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-16-7-5-15(6-8-16)4-3-11-9-12(17(18)19)14(20-2)10-13(11)21-15/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 7-methoxy-1'-methyl-6-nitrospiro[chromene-2,4'-piperidine]?
7-methoxy-1'-methyl-6-nitrospiro[chromene-2,4'-piperidine] has a molecular weight of 290.32 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1'-methyl-6-nitrospiro[chromene-2,4'-piperidine] is sourced from PubChem (CID 86661698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).