1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

C14H18N2O2 — CID 110895605

IUPAC1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESO=C(NCC1CC1)NC1c2ccccc2CC1O
InChIInChI=1S/C14H18N2O2/c17-12-7-10-3-1-2-4-11(10)13(12)16-14(18)15-8-9-5-6-9/h1-4,9,12-13,17H,5-8H2,(H2,15,16,18)
InChIKeyVSXMKFNFNQXJON-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.35
Rot. Bonds3

About 1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 110895605) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID110895605
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESO=C(NCC1CC1)NC1c2ccccc2CC1O
InChIInChI=1S/C14H18N2O2/c17-12-7-10-3-1-2-4-11(10)13(12)16-14(18)15-8-9-5-6-9/h1-4,9,12-13,17H,5-8H2,(H2,15,16,18)
InChIKeyVSXMKFNFNQXJON-UHFFFAOYSA-N
XLogP1.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]acetamide
CID 136580821
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 95267093
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-methoxy-2-methylpropyl)urea
CID 111508614
1-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110923399
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-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 131961678
2-cyclobutyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 111696386
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea
CID 111104314
1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895956

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea (CID 110895605) is 1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea is O=C(NCC1CC1)NC1c2ccccc2CC1O.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is VSXMKFNFNQXJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-12-7-10-3-1-2-4-11(10)13(12)16-14(18)15-8-9-5-6-9/h1-4,9,12-13,17H,5-8H2,(H2,15,16,18).
What are the key properties of 1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 246.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 110895605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).