methyl 2-(7-phenylmethoxy-5-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate

C24H27NO3 — CID 91009143

IUPACmethyl 2-(7-phenylmethoxy-5-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate
SMILESCOC(=O)CC1CCn2c1cc1c(C(C)C)cc(OCc3ccccc3)cc12
InChIInChI=1S/C24H27NO3/c1-16(2)20-12-19(28-15-17-7-5-4-6-8-17)13-23-21(20)14-22-18(9-10-25(22)23)11-24(26)27-3/h4-8,12-14,16,18H,9-11,15H2,1-3H3
InChIKeyJUPKUEOXPDHIKF-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.39
Rot. Bonds6

About methyl 2-(7-phenylmethoxy-5-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate

methyl 2-(7-phenylmethoxy-5-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate (PubChem CID 91009143) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is methyl 2-(7-phenylmethoxy-5-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-phenylmethoxy-5-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate
PubChem CID91009143
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Namemethyl 2-(7-phenylmethoxy-5-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate
SMILESCOC(=O)CC1CCn2c1cc1c(C(C)C)cc(OCc3ccccc3)cc12
InChIInChI=1S/C24H27NO3/c1-16(2)20-12-19(28-15-17-7-5-4-6-8-17)13-23-21(20)14-22-18(9-10-25(22)23)11-24(26)27-3/h4-8,12-14,16,18H,9-11,15H2,1-3H3
InChIKeyJUPKUEOXPDHIKF-UHFFFAOYSA-N
XLogP5.39
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(7-phenylmethoxy-5-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate with MolForge

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Related Compounds

tert-butyl 2-(6-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate
CID 67250144
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methyl 3-[3,5-bis(phenylmethoxy)phenyl]butanoate
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4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid
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ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid
CID 90976255
N-(1-methoxypropan-2-yl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 51361898
methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate
CID 115031353
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
methyl (2R)-5-phenylmethoxy-2,3-dihydro-1H-indole-2-carboxylate
CID 57219346
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
ethyl 2-[6-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetate
CID 78032757

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-phenylmethoxy-5-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate?
The IUPAC name of methyl 2-(7-phenylmethoxy-5-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate (CID 91009143) is methyl 2-(7-phenylmethoxy-5-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate.
What is the SMILES notation for methyl 2-(7-phenylmethoxy-5-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate?
The canonical SMILES for methyl 2-(7-phenylmethoxy-5-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate is COC(=O)CC1CCn2c1cc1c(C(C)C)cc(OCc3ccccc3)cc12.
What is the InChIKey of methyl 2-(7-phenylmethoxy-5-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate?
The InChIKey is JUPKUEOXPDHIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-16(2)20-12-19(28-15-17-7-5-4-6-8-17)13-23-21(20)14-22-18(9-10-25(22)23)11-24(26)27-3/h4-8,12-14,16,18H,9-11,15H2,1-3H3.
What are the key properties of methyl 2-(7-phenylmethoxy-5-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate?
methyl 2-(7-phenylmethoxy-5-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate has a molecular weight of 377.48 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-phenylmethoxy-5-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate is sourced from PubChem (CID 91009143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).