3-(ethylamino)-2-oxochromene-4-carbaldehyde

C12H11NO3 — CID 141363714

IUPAC3-(ethylamino)-2-oxochromene-4-carbaldehyde
SMILESCCNc1c(C=O)c2ccccc2oc1=O
InChIInChI=1S/C12H11NO3/c1-2-13-11-9(7-14)8-5-3-4-6-10(8)16-12(11)15/h3-7,13H,2H2,1H3
InChIKeyADTZVRAYUGPNTI-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.04
Rot. Bonds3

About 3-(ethylamino)-2-oxochromene-4-carbaldehyde

3-(ethylamino)-2-oxochromene-4-carbaldehyde (PubChem CID 141363714) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-(ethylamino)-2-oxochromene-4-carbaldehyde.

Molecular Properties

Compound Name3-(ethylamino)-2-oxochromene-4-carbaldehyde
PubChem CID141363714
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name3-(ethylamino)-2-oxochromene-4-carbaldehyde
SMILESCCNc1c(C=O)c2ccccc2oc1=O
InChIInChI=1S/C12H11NO3/c1-2-13-11-9(7-14)8-5-3-4-6-10(8)16-12(11)15/h3-7,13H,2H2,1H3
InChIKeyADTZVRAYUGPNTI-UHFFFAOYSA-N
XLogP2.04
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea
CID 6471934
2-(ethylamino)chromen-4-one
CID 86025135
1-benzyl-3-[4-(ethylamino)-2-oxochromen-3-yl]urea
CID 50762055
N-[4-(ethylamino)-2-oxochromen-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 50778788
1-[(2S)-butan-2-yl]-3-[4-(ethylamino)-2-oxochromen-3-yl]urea
CID 35396976
N-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide
CID 22432408
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(oxolan-2-ylmethyl)urea
CID 50762128
propane;xanthen-9-one
CID 90876458
2-pentyl-1-benzofuran-3-carbaldehyde
CID 87462287
4-[[(3E,5Z)-6-methylocta-3,5,7-trien-3-yl]amino]-2-oxochromene-3-carbaldehyde
CID 143579263
N-[4-(ethylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide
CID 22433885
4-azido-2-oxochromene-3-carbaldehyde
CID 15046363

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-oxochromene-4-carbaldehyde?
The IUPAC name of 3-(ethylamino)-2-oxochromene-4-carbaldehyde (CID 141363714) is 3-(ethylamino)-2-oxochromene-4-carbaldehyde.
What is the SMILES notation for 3-(ethylamino)-2-oxochromene-4-carbaldehyde?
The canonical SMILES for 3-(ethylamino)-2-oxochromene-4-carbaldehyde is CCNc1c(C=O)c2ccccc2oc1=O.
What is the InChIKey of 3-(ethylamino)-2-oxochromene-4-carbaldehyde?
The InChIKey is ADTZVRAYUGPNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-13-11-9(7-14)8-5-3-4-6-10(8)16-12(11)15/h3-7,13H,2H2,1H3.
What are the key properties of 3-(ethylamino)-2-oxochromene-4-carbaldehyde?
3-(ethylamino)-2-oxochromene-4-carbaldehyde has a molecular weight of 217.22 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-oxochromene-4-carbaldehyde is sourced from PubChem (CID 141363714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).