3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea

C15H20N2O2 — CID 111424123

IUPAC3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NC1CCc2ccccc21
InChIInChI=1S/C15H20N2O2/c1-2-9-17(10-11-18)15(19)16-14-8-7-12-5-3-4-6-13(12)14/h2-6,14,18H,1,7-11H2,(H,16,19)
InChIKeyYVLGMHHGIYKETK-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.86
Rot. Bonds5

About 3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea

3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea (PubChem CID 111424123) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
PubChem CID111424123
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NC1CCc2ccccc21
InChIInChI=1S/C15H20N2O2/c1-2-9-17(10-11-18)15(19)16-14-8-7-12-5-3-4-6-13(12)14/h2-6,14,18H,1,7-11H2,(H,16,19)
InChIKeyYVLGMHHGIYKETK-UHFFFAOYSA-N
XLogP1.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424275
N-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide
CID 100952588
3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
CID 97226906
3-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424120
1-cyano-3-(2,3-dihydro-1H-inden-1-yl)-1-sulfanylurea
CID 57031420
3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 115642253
3-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-propylurea
CID 110904145
3-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-prop-2-enyl-1-(thiophen-2-ylmethyl)urea
CID 60580727
3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-ethyl-1-(furan-3-ylmethyl)urea
CID 95160392
1-benzyl-3-(3,4-dihydro-2H-thiochromen-4-yl)-1-(2-hydroxyethyl)urea
CID 110894883
1-prop-2-enyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 4997238
N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 61233966

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The IUPAC name of 3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea (CID 111424123) is 3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea is C=CCN(CCO)C(=O)NC1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The InChIKey is YVLGMHHGIYKETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-9-17(10-11-18)15(19)16-14-8-7-12-5-3-4-6-13(12)14/h2-6,14,18H,1,7-11H2,(H,16,19).
What are the key properties of 3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea?
3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea has a molecular weight of 260.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea is sourced from PubChem (CID 111424123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).