[3-(cyclopropylmethyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone

C17H20N2O — CID 59744689

IUPAC[3-(cyclopropylmethyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)C1(CC2CC2)CCNC1
InChIInChI=1S/C17H20N2O/c20-16(14-3-4-15-13(9-14)5-7-19-15)17(6-8-18-11-17)10-12-1-2-12/h3-5,7,9,12,18-19H,1-2,6,8,10-11H2
InChIKeyXERSFDRKLLDZRN-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.13
Rot. Bonds4

About [3-(cyclopropylmethyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone

[3-(cyclopropylmethyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone (PubChem CID 59744689) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is [3-(cyclopropylmethyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone
PubChem CID59744689
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name[3-(cyclopropylmethyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)C1(CC2CC2)CCNC1
InChIInChI=1S/C17H20N2O/c20-16(14-3-4-15-13(9-14)5-7-19-15)17(6-8-18-11-17)10-12-1-2-12/h3-5,7,9,12,18-19H,1-2,6,8,10-11H2
InChIKeyXERSFDRKLLDZRN-UHFFFAOYSA-N
XLogP3.13
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone
CID 59744791
(3-benzylpyrrolidin-3-yl)-(1H-indol-5-yl)methanone;hydrochloride
CID 66688221
N-(piperidin-4-ylmethyl)-1H-indole-5-carboxamide
CID 63747736
N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-1H-indole-5-carboxamide
CID 71862139
N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide
CID 63141613
N-(piperidin-3-ylmethyl)-1H-indole-5-carboxamide
CID 55230606
N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide
CID 103839267
N-pyrrolidin-3-yl-1H-indole-5-carboxamide
CID 63747913
[3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[3-benzyl-3-(1-methylindole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;(3-benzylpyrrolidin-3-yl)-(1-methylindol-5-yl)methanone;dihydrochloride
CID 159778165
2-(cyclopropylamino)-1-(1H-indol-5-yl)ethanone
CID 76849912
3-(1H-indol-5-yl)-3-oxopropanoic acid
CID 170886874
(7-fluoro-1H-indol-5-yl)-[(3S)-3-propylpyrrolidin-3-yl]methanone
CID 59744843

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [3-(cyclopropylmethyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone (CID 59744689) is [3-(cyclopropylmethyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [3-(cyclopropylmethyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [3-(cyclopropylmethyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone is O=C(c1ccc2[nH]ccc2c1)C1(CC2CC2)CCNC1.
What is the InChIKey of [3-(cyclopropylmethyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone?
The InChIKey is XERSFDRKLLDZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-16(14-3-4-15-13(9-14)5-7-19-15)17(6-8-18-11-17)10-12-1-2-12/h3-5,7,9,12,18-19H,1-2,6,8,10-11H2.
What are the key properties of [3-(cyclopropylmethyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone?
[3-(cyclopropylmethyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone has a molecular weight of 268.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 59744689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).