1-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-methylurea

C13H18N2O — CID 143354834

IUPAC1-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-methylurea
SMILESCNC(=O)NC(C)C1Cc2ccccc2C1
InChIInChI=1S/C13H18N2O/c1-9(15-13(16)14-2)12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12H,7-8H2,1-2H3,(H2,14,15,16)
InChIKeyCKRYMBLKAUTTHM-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.72
Rot. Bonds2

About 1-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-methylurea

1-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-methylurea (PubChem CID 143354834) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-methylurea
PubChem CID143354834
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-methylurea
SMILESCNC(=O)NC(C)C1Cc2ccccc2C1
InChIInChI=1S/C13H18N2O/c1-9(15-13(16)14-2)12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12H,7-8H2,1-2H3,(H2,14,15,16)
InChIKeyCKRYMBLKAUTTHM-UHFFFAOYSA-N
XLogP1.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 143250120
methyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 124706120
(1R)-1-(2,3-dihydro-1H-inden-2-yl)-1-(methylamino)propan-2-one
CID 59814447
(3R)-3-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-methylbutanamide
CID 95147060
N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62407046
N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119279812
2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane
CID 178025111
(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81390006
1-(1-cyclopropylethyl)-3-(2-ethylphenyl)urea
CID 47133266
3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)butanoic acid
CID 107843016
2-cyano-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 104694747
(2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81385786

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-methylurea?
The IUPAC name of 1-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-methylurea (CID 143354834) is 1-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-methylurea.
What is the SMILES notation for 1-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-methylurea?
The canonical SMILES for 1-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-methylurea is CNC(=O)NC(C)C1Cc2ccccc2C1.
What is the InChIKey of 1-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-methylurea?
The InChIKey is CKRYMBLKAUTTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(15-13(16)14-2)12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12H,7-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-methylurea?
1-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-methylurea has a molecular weight of 218.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-methylurea is sourced from PubChem (CID 143354834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).