4-[(1-methyl-6-nitrosoindol-3-yl)methyl]morpholine

C14H17N3O2 — CID 89110009

IUPAC4-[(1-methyl-6-nitrosoindol-3-yl)methyl]morpholine
SMILESCn1cc(CN2CCOCC2)c2ccc(N=O)cc21
InChIInChI=1S/C14H17N3O2/c1-16-9-11(10-17-4-6-19-7-5-17)13-3-2-12(15-18)8-14(13)16/h2-3,8-9H,4-7,10H2,1H3
InChIKeyGDNWYSJDRUKDEX-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.41
Rot. Bonds3

About 4-[(1-methyl-6-nitrosoindol-3-yl)methyl]morpholine

4-[(1-methyl-6-nitrosoindol-3-yl)methyl]morpholine (PubChem CID 89110009) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[(1-methyl-6-nitrosoindol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(1-methyl-6-nitrosoindol-3-yl)methyl]morpholine
PubChem CID89110009
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-[(1-methyl-6-nitrosoindol-3-yl)methyl]morpholine
SMILESCn1cc(CN2CCOCC2)c2ccc(N=O)cc21
InChIInChI=1S/C14H17N3O2/c1-16-9-11(10-17-4-6-19-7-5-17)13-3-2-12(15-18)8-14(13)16/h2-3,8-9H,4-7,10H2,1H3
InChIKeyGDNWYSJDRUKDEX-UHFFFAOYSA-N
XLogP2.41
TPSA46.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-methylindol-3-yl)methyl]morpholine
CID 15496284
1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid
CID 117175278
4-[(1,2-dimethyl-5-nitrosoindol-3-yl)methyl]morpholine
CID 89109991
4-[(1-methyl-5-nitroindol-3-yl)methyl]morpholine
CID 68612224
1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine
CID 117178342
4-[3-(6-fluoro-1-methylindol-3-yl)propyl]morpholine
CID 170871004
6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole
CID 117178351
6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole
CID 82278751
4-[(4-bromo-1-methylindol-3-yl)methyl]morpholine
CID 117171194
4-[(4-fluoro-1-methylindol-3-yl)methyl]morpholine
CID 117171192
4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine
CID 117185177
3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid
CID 117175764

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-6-nitrosoindol-3-yl)methyl]morpholine?
The IUPAC name of 4-[(1-methyl-6-nitrosoindol-3-yl)methyl]morpholine (CID 89110009) is 4-[(1-methyl-6-nitrosoindol-3-yl)methyl]morpholine.
What is the SMILES notation for 4-[(1-methyl-6-nitrosoindol-3-yl)methyl]morpholine?
The canonical SMILES for 4-[(1-methyl-6-nitrosoindol-3-yl)methyl]morpholine is Cn1cc(CN2CCOCC2)c2ccc(N=O)cc21.
What is the InChIKey of 4-[(1-methyl-6-nitrosoindol-3-yl)methyl]morpholine?
The InChIKey is GDNWYSJDRUKDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16-9-11(10-17-4-6-19-7-5-17)13-3-2-12(15-18)8-14(13)16/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of 4-[(1-methyl-6-nitrosoindol-3-yl)methyl]morpholine?
4-[(1-methyl-6-nitrosoindol-3-yl)methyl]morpholine has a molecular weight of 259.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-6-nitrosoindol-3-yl)methyl]morpholine is sourced from PubChem (CID 89110009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).