1-(cyclopropylmethyl)-5-[[(2R)-2-hydroxypropyl]amino]-3H-indol-2-one

C15H20N2O2 — CID 91244258

IUPAC1-(cyclopropylmethyl)-5-[[(2R)-2-hydroxypropyl]amino]-3H-indol-2-one
SMILESC[C@@H](O)CNc1ccc2c(c1)CC(=O)N2CC1CC1
InChIInChI=1S/C15H20N2O2/c1-10(18)8-16-13-4-5-14-12(6-13)7-15(19)17(14)9-11-2-3-11/h4-6,10-11,16,18H,2-3,7-9H2,1H3/t10-/m1/s1
InChIKeyPADXJFLXEHSRSL-SNVBAGLBSA-N
MW260.34 g/mol
LogP1.78
Rot. Bonds5

About 1-(cyclopropylmethyl)-5-[[(2R)-2-hydroxypropyl]amino]-3H-indol-2-one

1-(cyclopropylmethyl)-5-[[(2R)-2-hydroxypropyl]amino]-3H-indol-2-one (PubChem CID 91244258) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-[[(2R)-2-hydroxypropyl]amino]-3H-indol-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-[[(2R)-2-hydroxypropyl]amino]-3H-indol-2-one
PubChem CID91244258
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(cyclopropylmethyl)-5-[[(2R)-2-hydroxypropyl]amino]-3H-indol-2-one
SMILESC[C@@H](O)CNc1ccc2c(c1)CC(=O)N2CC1CC1
InChIInChI=1S/C15H20N2O2/c1-10(18)8-16-13-4-5-14-12(6-13)7-15(19)17(14)9-11-2-3-11/h4-6,10-11,16,18H,2-3,7-9H2,1H3/t10-/m1/s1
InChIKeyPADXJFLXEHSRSL-SNVBAGLBSA-N
XLogP1.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-[[(2R)-2-hydroxypropyl]amino]-3H-indol-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-5-[[(2R)-2-hydroxypropyl]amino]-3H-indol-2-one (CID 91244258) is 1-(cyclopropylmethyl)-5-[[(2R)-2-hydroxypropyl]amino]-3H-indol-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-[[(2R)-2-hydroxypropyl]amino]-3H-indol-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-5-[[(2R)-2-hydroxypropyl]amino]-3H-indol-2-one is C[C@@H](O)CNc1ccc2c(c1)CC(=O)N2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-[[(2R)-2-hydroxypropyl]amino]-3H-indol-2-one?
The InChIKey is PADXJFLXEHSRSL-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(18)8-16-13-4-5-14-12(6-13)7-15(19)17(14)9-11-2-3-11/h4-6,10-11,16,18H,2-3,7-9H2,1H3/t10-/m1/s1.
What are the key properties of 1-(cyclopropylmethyl)-5-[[(2R)-2-hydroxypropyl]amino]-3H-indol-2-one?
1-(cyclopropylmethyl)-5-[[(2R)-2-hydroxypropyl]amino]-3H-indol-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-[[(2R)-2-hydroxypropyl]amino]-3H-indol-2-one is sourced from PubChem (CID 91244258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).