2-(3,4-dihydro-2H-chromen-6-yl)ethylurea

C12H16N2O2 — CID 115168538

IUPAC2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
SMILESNC(=O)NCCc1ccc2c(c1)CCCO2
InChIInChI=1S/C12H16N2O2/c13-12(15)14-6-5-9-3-4-11-10(8-9)2-1-7-16-11/h3-4,8H,1-2,5-7H2,(H3,13,14,15)
InChIKeyXIQIPMIVUBYOCR-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.22
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-6-yl)ethylurea

2-(3,4-dihydro-2H-chromen-6-yl)ethylurea (PubChem CID 115168538) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-yl)ethylurea.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
PubChem CID115168538
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
SMILESNC(=O)NCCc1ccc2c(c1)CCCO2
InChIInChI=1S/C12H16N2O2/c13-12(15)14-6-5-9-3-4-11-10(8-9)2-1-7-16-11/h3-4,8H,1-2,5-7H2,(H3,13,14,15)
InChIKeyXIQIPMIVUBYOCR-UHFFFAOYSA-N
XLogP1.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-phenylacetamide
CID 110790434
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide
CID 110790414
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 111334716
2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine
CID 115261148
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide
CID 115162653
methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]acetate
CID 115233066
2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol
CID 96659085
2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]acetamide
CID 122136652
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110792404
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111335774
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795908

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)ethylurea?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)ethylurea (CID 115168538) is 2-(3,4-dihydro-2H-chromen-6-yl)ethylurea.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-yl)ethylurea?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-yl)ethylurea is NC(=O)NCCc1ccc2c(c1)CCCO2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-yl)ethylurea?
The InChIKey is XIQIPMIVUBYOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-12(15)14-6-5-9-3-4-11-10(8-9)2-1-7-16-11/h3-4,8H,1-2,5-7H2,(H3,13,14,15).
What are the key properties of 2-(3,4-dihydro-2H-chromen-6-yl)ethylurea?
2-(3,4-dihydro-2H-chromen-6-yl)ethylurea has a molecular weight of 220.27 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-6-yl)ethylurea is sourced from PubChem (CID 115168538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).