2,3-dihydro-1H-inden-4-yl morpholine-2-carboxylate

C14H17NO3 — CID 70624241

IUPAC2,3-dihydro-1H-inden-4-yl morpholine-2-carboxylate
SMILESO=C(Oc1cccc2c1CCC2)C1CNCCO1
InChIInChI=1S/C14H17NO3/c16-14(13-9-15-7-8-17-13)18-12-6-2-4-10-3-1-5-11(10)12/h2,4,6,13,15H,1,3,5,7-9H2
InChIKeyNNCWWWVAPRXBEA-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.07
Rot. Bonds2

About 2,3-dihydro-1H-inden-4-yl morpholine-2-carboxylate

2,3-dihydro-1H-inden-4-yl morpholine-2-carboxylate (PubChem CID 70624241) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-4-yl morpholine-2-carboxylate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-4-yl morpholine-2-carboxylate
PubChem CID70624241
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2,3-dihydro-1H-inden-4-yl morpholine-2-carboxylate
SMILESO=C(Oc1cccc2c1CCC2)C1CNCCO1
InChIInChI=1S/C14H17NO3/c16-14(13-9-15-7-8-17-13)18-12-6-2-4-10-3-1-5-11(10)12/h2,4,6,13,15H,1,3,5,7-9H2
InChIKeyNNCWWWVAPRXBEA-UHFFFAOYSA-N
XLogP1.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,6,7,8-tetrahydronaphthalen-1-yl pyrrolidine-2-carboxylate
CID 82118328
cyclobutyl morpholine-2-carboxylate
CID 62217575
(7-fluoro-2,3-dihydro-1H-inden-4-yl)-morpholin-2-ylmethanone
CID 174513546
(3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine
CID 26191920
5,6,7,8-tetrahydronaphthalen-1-yl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
CID 176879726
(3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)piperidine
CID 26191291
(3-hydroxyphenyl)-morpholin-2-ylmethanone
CID 84675045
(2R)-morpholine-2-carboxamide
CID 51600069
(2-methylphenyl)-morpholin-2-ylmethanone
CID 84673271
2-(furan-2-yl)-1-morpholin-2-ylethanone
CID 116561702
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 154900926
[1-(morpholine-2-carbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride
CID 119699768

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-4-yl morpholine-2-carboxylate?
The IUPAC name of 2,3-dihydro-1H-inden-4-yl morpholine-2-carboxylate (CID 70624241) is 2,3-dihydro-1H-inden-4-yl morpholine-2-carboxylate.
What is the SMILES notation for 2,3-dihydro-1H-inden-4-yl morpholine-2-carboxylate?
The canonical SMILES for 2,3-dihydro-1H-inden-4-yl morpholine-2-carboxylate is O=C(Oc1cccc2c1CCC2)C1CNCCO1.
What is the InChIKey of 2,3-dihydro-1H-inden-4-yl morpholine-2-carboxylate?
The InChIKey is NNCWWWVAPRXBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-14(13-9-15-7-8-17-13)18-12-6-2-4-10-3-1-5-11(10)12/h2,4,6,13,15H,1,3,5,7-9H2.
What are the key properties of 2,3-dihydro-1H-inden-4-yl morpholine-2-carboxylate?
2,3-dihydro-1H-inden-4-yl morpholine-2-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-4-yl morpholine-2-carboxylate is sourced from PubChem (CID 70624241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).