1-[(4-methyl-2-pyridinyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol

C19H18N2O2 — CID 914415

IUPAC1-[(4-methyl-2-pyridinyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESCc1ccnc(/N=C/c2c(O)ccc3oc4c(c23)CCCC4)c1
InChIInChI=1S/C19H18N2O2/c1-12-8-9-20-18(10-12)21-11-14-15(22)6-7-17-19(14)13-4-2-3-5-16(13)23-17/h6-11,22H,2-5H2,1H3/b21-11+
InChIKeyOYPNGOUOGCXDNR-SRZZPIQSSA-N
MW306.37 g/mol
LogP4.47
Rot. Bonds2

About 1-[(4-methyl-2-pyridinyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol

1-[(4-methyl-2-pyridinyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol (PubChem CID 914415) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[(4-methyl-2-pyridinyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol.

Molecular Properties

Compound Name1-[(4-methyl-2-pyridinyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
PubChem CID914415
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-[(4-methyl-2-pyridinyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESCc1ccnc(/N=C/c2c(O)ccc3oc4c(c23)CCCC4)c1
InChIInChI=1S/C19H18N2O2/c1-12-8-9-20-18(10-12)21-11-14-15(22)6-7-17-19(14)13-4-2-3-5-16(13)23-17/h6-11,22H,2-5H2,1H3/b21-11+
InChIKeyOYPNGOUOGCXDNR-SRZZPIQSSA-N
XLogP4.47
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-2-pyridinyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The IUPAC name of 1-[(4-methyl-2-pyridinyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol (CID 914415) is 1-[(4-methyl-2-pyridinyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol.
What is the SMILES notation for 1-[(4-methyl-2-pyridinyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The canonical SMILES for 1-[(4-methyl-2-pyridinyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol is Cc1ccnc(/N=C/c2c(O)ccc3oc4c(c23)CCCC4)c1.
What is the InChIKey of 1-[(4-methyl-2-pyridinyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The InChIKey is OYPNGOUOGCXDNR-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12-8-9-20-18(10-12)21-11-14-15(22)6-7-17-19(14)13-4-2-3-5-16(13)23-17/h6-11,22H,2-5H2,1H3/b21-11+.
What are the key properties of 1-[(4-methyl-2-pyridinyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
1-[(4-methyl-2-pyridinyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol has a molecular weight of 306.37 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-2-pyridinyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol is sourced from PubChem (CID 914415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).