6-(2-nitroethenyl)-3,4-dihydro-2H-chromene

C11H11NO3 — CID 3290864

IUPAC6-(2-nitroethenyl)-3,4-dihydro-2H-chromene
SMILESO=[N+]([O-])C=Cc1ccc2c(c1)CCCO2
InChIInChI=1S/C11H11NO3/c13-12(14)6-5-9-3-4-11-10(8-9)2-1-7-15-11/h3-6,8H,1-2,7H2
InChIKeyCNSMZWUDRMEYQP-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.26
Rot. Bonds2

About 6-(2-nitroethenyl)-3,4-dihydro-2H-chromene

6-(2-nitroethenyl)-3,4-dihydro-2H-chromene (PubChem CID 3290864) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 6-(2-nitroethenyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-(2-nitroethenyl)-3,4-dihydro-2H-chromene
PubChem CID3290864
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name6-(2-nitroethenyl)-3,4-dihydro-2H-chromene
SMILESO=[N+]([O-])C=Cc1ccc2c(c1)CCCO2
InChIInChI=1S/C11H11NO3/c13-12(14)6-5-9-3-4-11-10(8-9)2-1-7-15-11/h3-6,8H,1-2,7H2
InChIKeyCNSMZWUDRMEYQP-UHFFFAOYSA-N
XLogP2.26
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

6-ethenyl-3,4-dihydro-2H-chromene
CID 23503811
(E)-3-(3,4-dihydro-2H-chromen-6-yl)-1-(4-iodophenyl)prop-2-en-1-one
CID 6012425
3,4-dihydro-2H-chromene-6-sulfonic acid
CID 22471808
(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenol
CID 90352085
3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane
CID 123201735
3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 74868098
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
5-(2-nitropent-1-enyl)-2,3-dihydro-1-benzofuran
CID 54071203
5-(4-chlorobut-1-enyl)-2,3-dihydro-1-benzofuran
CID 170499269
fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 143200425
5-[(E)-3-chlorobut-1-enyl]-2,3-dihydro-1-benzofuran
CID 130539002
3,4-dihydro-2H-chromene-6-sulfinic acid
CID 56986109

Frequently Asked Questions

What is the IUPAC name of 6-(2-nitroethenyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 6-(2-nitroethenyl)-3,4-dihydro-2H-chromene (CID 3290864) is 6-(2-nitroethenyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-(2-nitroethenyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-(2-nitroethenyl)-3,4-dihydro-2H-chromene is O=[N+]([O-])C=Cc1ccc2c(c1)CCCO2.
What is the InChIKey of 6-(2-nitroethenyl)-3,4-dihydro-2H-chromene?
The InChIKey is CNSMZWUDRMEYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-12(14)6-5-9-3-4-11-10(8-9)2-1-7-15-11/h3-6,8H,1-2,7H2.
What are the key properties of 6-(2-nitroethenyl)-3,4-dihydro-2H-chromene?
6-(2-nitroethenyl)-3,4-dihydro-2H-chromene has a molecular weight of 205.21 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-nitroethenyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 3290864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).