1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

C17H22N2O2 — CID 95267093

IUPAC1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESO=C(NC[C@H]1CC=CCC1)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C17H22N2O2/c20-15-10-13-8-4-5-9-14(13)16(15)19-17(21)18-11-12-6-2-1-3-7-12/h1-2,4-5,8-9,12,15-16,20H,3,6-7,10-11H2,(H2,18,19,21)/t12-,15+,16-/m0/s1
InChIKeyCSYRAJSQBVDRKM-MAZHCROVSA-N
MW286.37 g/mol
LogP2.30
Rot. Bonds3

About 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 95267093) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID95267093
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESO=C(NC[C@H]1CC=CCC1)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C17H22N2O2/c20-15-10-13-8-4-5-9-14(13)16(15)19-17(21)18-11-12-6-2-1-3-7-12/h1-2,4-5,8-9,12,15-16,20H,3,6-7,10-11H2,(H2,18,19,21)/t12-,15+,16-/m0/s1
InChIKeyCSYRAJSQBVDRKM-MAZHCROVSA-N
XLogP2.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895605
N-(cyclopropylmethyl)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]acetamide
CID 136580821
1-cyclopropyl-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 47374066
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-phenylethyl)urea
CID 75266020
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 110933487
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea
CID 111104314
2-[2-(cyclohex-3-en-1-ylmethylcarbamoylamino)phenyl]acetic acid
CID 62534233
1-[(2-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 131961678
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111455877
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 103863044
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 103860628

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 95267093) is 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is O=C(NC[C@H]1CC=CCC1)N[C@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is CSYRAJSQBVDRKM-MAZHCROVSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-15-10-13-8-4-5-9-14(13)16(15)19-17(21)18-11-12-6-2-1-3-7-12/h1-2,4-5,8-9,12,15-16,20H,3,6-7,10-11H2,(H2,18,19,21)/t12-,15+,16-/m0/s1.
What are the key properties of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 286.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 95267093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).