1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one

C16H20N2O2 — CID 53164582

IUPAC1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one
SMILESO=c1c2c(ccn1CC1CCCO1)ccn2CC1CC1
InChIInChI=1S/C16H20N2O2/c19-16-15-13(5-7-17(15)10-12-3-4-12)6-8-18(16)11-14-2-1-9-20-14/h5-8,12,14H,1-4,9-11H2
InChIKeyWYNMHJPNQUUXCV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.39
Rot. Bonds4

About 1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one

1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one (PubChem CID 53164582) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one
PubChem CID53164582
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one
SMILESO=c1c2c(ccn1CC1CCCO1)ccn2CC1CC1
InChIInChI=1S/C16H20N2O2/c19-16-15-13(5-7-17(15)10-12-3-4-12)6-8-18(16)11-14-2-1-9-20-14/h5-8,12,14H,1-4,9-11H2
InChIKeyWYNMHJPNQUUXCV-UHFFFAOYSA-N
XLogP2.39
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)pyrrolo[2,3-c]pyridin-7-one
CID 53164579
6-fluoro-1-(oxolan-2-ylmethyl)indole
CID 116619846
1-(cyclopropylmethyl)-6-(2-ethoxyethyl)pyrrolo[2,3-c]pyridin-7-one
CID 53164580
1-(oxolan-2-ylmethyl)indole-5-carboxylic acid
CID 63749653
1-(oxan-2-ylmethyl)indole-6-carboxylic acid
CID 63936403
1-[[(2S)-oxan-2-yl]methyl]-2-oxopyridine-3-carbaldehyde
CID 129494640
8-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43865048
4,8-dimethyl-11-(oxolan-2-ylmethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 56923127
1-(oxan-2-ylmethyl)indole-5-carboxylic acid
CID 63935795
2-chloro-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidine
CID 166090821
N'-hydroxy-1-(oxolan-2-ylmethyl)indole-6-carboximidamide
CID 107917557
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one (CID 53164582) is 1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one is O=c1c2c(ccn1CC1CCCO1)ccn2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is WYNMHJPNQUUXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16-15-13(5-7-17(15)10-12-3-4-12)6-8-18(16)11-14-2-1-9-20-14/h5-8,12,14H,1-4,9-11H2.
What are the key properties of 1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one?
1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 272.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 53164582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).