methyl 2-(2,3-dihydro-1H-indol-2-yl)-1-prop-2-enylpiperidine-3-carboxylate

C18H24N2O2 — CID 141208309

IUPACmethyl 2-(2,3-dihydro-1H-indol-2-yl)-1-prop-2-enylpiperidine-3-carboxylate
SMILESC=CCN1CCCC(C(=O)OC)C1C1Cc2ccccc2N1
InChIInChI=1S/C18H24N2O2/c1-3-10-20-11-6-8-14(18(21)22-2)17(20)16-12-13-7-4-5-9-15(13)19-16/h3-5,7,9,14,16-17,19H,1,6,8,10-12H2,2H3
InChIKeyUSBRBHDQJBQQOJ-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.46
Rot. Bonds4

About methyl 2-(2,3-dihydro-1H-indol-2-yl)-1-prop-2-enylpiperidine-3-carboxylate

methyl 2-(2,3-dihydro-1H-indol-2-yl)-1-prop-2-enylpiperidine-3-carboxylate (PubChem CID 141208309) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is methyl 2-(2,3-dihydro-1H-indol-2-yl)-1-prop-2-enylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1H-indol-2-yl)-1-prop-2-enylpiperidine-3-carboxylate
PubChem CID141208309
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Namemethyl 2-(2,3-dihydro-1H-indol-2-yl)-1-prop-2-enylpiperidine-3-carboxylate
SMILESC=CCN1CCCC(C(=O)OC)C1C1Cc2ccccc2N1
InChIInChI=1S/C18H24N2O2/c1-3-10-20-11-6-8-14(18(21)22-2)17(20)16-12-13-7-4-5-9-15(13)19-16/h3-5,7,9,14,16-17,19H,1,6,8,10-12H2,2H3
InChIKeyUSBRBHDQJBQQOJ-UHFFFAOYSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidine-2-carboxylate
CID 61163706
(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
CID 139181598
methyl (2S,3S)-3-hydroxy-1-prop-2-enylpyrrolidine-2-carboxylate
CID 10986982
(4aS,10aS)-9-methoxy-1-prop-2-enyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline;hydrochloride
CID 67768848
dimethyl (2S,3R,4S)-4-methyl-4-prop-2-enyl-2,3-dihydro-1H-naphthalene-2,3-dicarboxylate
CID 10733140
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
(2S)-N-pent-4-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 113466545
methyl (2R,3S)-1-methyl-2-phenylpiperidine-3-carboxylate
CID 150173428
methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 76894114
(2R)-2-prop-2-enyl-2,3-dihydro-1H-indole
CID 1380957
butan-2-yl 2,3-dihydro-1H-indole-2-carboxylate
CID 60903928
methyl 1-benzyl-2-deuteriopyrrolidine-2-carboxylate
CID 132570943

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1H-indol-2-yl)-1-prop-2-enylpiperidine-3-carboxylate?
The IUPAC name of methyl 2-(2,3-dihydro-1H-indol-2-yl)-1-prop-2-enylpiperidine-3-carboxylate (CID 141208309) is methyl 2-(2,3-dihydro-1H-indol-2-yl)-1-prop-2-enylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1H-indol-2-yl)-1-prop-2-enylpiperidine-3-carboxylate?
The canonical SMILES for methyl 2-(2,3-dihydro-1H-indol-2-yl)-1-prop-2-enylpiperidine-3-carboxylate is C=CCN1CCCC(C(=O)OC)C1C1Cc2ccccc2N1.
What is the InChIKey of methyl 2-(2,3-dihydro-1H-indol-2-yl)-1-prop-2-enylpiperidine-3-carboxylate?
The InChIKey is USBRBHDQJBQQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-10-20-11-6-8-14(18(21)22-2)17(20)16-12-13-7-4-5-9-15(13)19-16/h3-5,7,9,14,16-17,19H,1,6,8,10-12H2,2H3.
What are the key properties of methyl 2-(2,3-dihydro-1H-indol-2-yl)-1-prop-2-enylpiperidine-3-carboxylate?
methyl 2-(2,3-dihydro-1H-indol-2-yl)-1-prop-2-enylpiperidine-3-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dihydro-1H-indol-2-yl)-1-prop-2-enylpiperidine-3-carboxylate is sourced from PubChem (CID 141208309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).