methoxy(1H-pyrrol-3-yl)methanamine

C6H10N2O — CID 116947286

IUPACmethoxy(1H-pyrrol-3-yl)methanamine
SMILESCOC(N)c1cc[nH]c1
InChIInChI=1S/C6H10N2O/c1-9-6(7)5-2-3-8-4-5/h2-4,6,8H,7H2,1H3
InChIKeyIAMIWGOATRGHTB-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.62
Rot. Bonds2

About methoxy(1H-pyrrol-3-yl)methanamine

methoxy(1H-pyrrol-3-yl)methanamine (PubChem CID 116947286) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is methoxy(1H-pyrrol-3-yl)methanamine.

Molecular Properties

Compound Namemethoxy(1H-pyrrol-3-yl)methanamine
PubChem CID116947286
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Namemethoxy(1H-pyrrol-3-yl)methanamine
SMILESCOC(N)c1cc[nH]c1
InChIInChI=1S/C6H10N2O/c1-9-6(7)5-2-3-8-4-5/h2-4,6,8H,7H2,1H3
InChIKeyIAMIWGOATRGHTB-UHFFFAOYSA-N
XLogP0.62
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-methoxy-2-(1H-pyrrol-3-yl)acetic acid
CID 170443503
3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide
CID 116850660
2-(1H-pyrrol-3-yl)propan-1-amine
CID 82280053
2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine
CID 82280266
methyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate
CID 116857108
3,3-dimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116934629
2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid
CID 116942235
(3R)-3-amino-3-(1H-pyrrol-3-yl)propanenitrile
CID 130648574
methyl 3-methyl-2-[methylamino(1H-pyrrol-3-yl)methyl]butanoate
CID 116960470
1-N,2-dimethyl-1-(1H-pyrrol-3-yl)propane-1,2-diamine
CID 116948256
1H-pyrrol-3-ylphosphane
CID 142553746
piperazin-1-yl(1H-pyrrol-3-yl)methanamine
CID 116939780

Frequently Asked Questions

What is the IUPAC name of methoxy(1H-pyrrol-3-yl)methanamine?
The IUPAC name of methoxy(1H-pyrrol-3-yl)methanamine (CID 116947286) is methoxy(1H-pyrrol-3-yl)methanamine.
What is the SMILES notation for methoxy(1H-pyrrol-3-yl)methanamine?
The canonical SMILES for methoxy(1H-pyrrol-3-yl)methanamine is COC(N)c1cc[nH]c1.
What is the InChIKey of methoxy(1H-pyrrol-3-yl)methanamine?
The InChIKey is IAMIWGOATRGHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-9-6(7)5-2-3-8-4-5/h2-4,6,8H,7H2,1H3.
What are the key properties of methoxy(1H-pyrrol-3-yl)methanamine?
methoxy(1H-pyrrol-3-yl)methanamine has a molecular weight of 126.16 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(1H-pyrrol-3-yl)methanamine is sourced from PubChem (CID 116947286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).