sodium (2-methanimidoylbenzene-3-id-1-yl)methanol

C8H8NNaO — CID 155694258

IUPACsodium (2-methanimidoylbenzene-3-id-1-yl)methanol
SMILES[H]/N=C/c1[c-]cccc1CO.[Na+]
InChIInChI=1S/C8H8NO.Na/c9-5-7-3-1-2-4-8(7)6-10;/h1-2,4-5,9-10H,6H2;/q-1;+1/b9-5+;
InChIKeyCVMMXGVZQIINIW-SZKNIZGXSA-N
MW157.15 g/mol
LogP-2.02
Rot. Bonds2

About sodium (2-methanimidoylbenzene-3-id-1-yl)methanol

sodium (2-methanimidoylbenzene-3-id-1-yl)methanol (PubChem CID 155694258) has the molecular formula C8H8NNaO and a molecular weight of 157.15 g/mol. Its IUPAC name is sodium (2-methanimidoylbenzene-3-id-1-yl)methanol.

Molecular Properties

Compound Namesodium (2-methanimidoylbenzene-3-id-1-yl)methanol
PubChem CID155694258
Molecular FormulaC8H8NNaO
Molecular Weight157.15 g/mol
Exact Mass157.05
IUPAC Namesodium (2-methanimidoylbenzene-3-id-1-yl)methanol
SMILES[H]/N=C/c1[c-]cccc1CO.[Na+]
InChIInChI=1S/C8H8NO.Na/c9-5-7-3-1-2-4-8(7)6-10;/h1-2,4-5,9-10H,6H2;/q-1;+1/b9-5+;
InChIKeyCVMMXGVZQIINIW-SZKNIZGXSA-N
XLogP-2.02
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 5-2.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Iminoethylidene)cyclohexa-2,5-dienol
CID 145707114
(2E,4E)-2-ethyl-6-iminohexa-2,4-dien-1-ol
CID 118494869
[6-(2-Iminoethyl)-5-methylcyclohexa-1,5-dien-1-yl]methanol
CID 123575259
(2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol
CID 131998269
(Z,2E)-2-ethylidene-5-iminopent-3-en-1-ol
CID 137399864
(3Z,5Z)-7-imino-5,6-dimethylhepta-3,5-dien-2-ol
CID 142150429
Ethane;4-methanimidoylcyclohexa-2,4-dien-1-ol;prop-1-ene
CID 143193804
(2Z,4E)-4-methanimidoylhepta-2,4,6-trien-1-ol
CID 143723976
(Z,2E)-2-(2-iminoethylidene)pent-3-en-1-ol
CID 156182889
4-Methanimidoylcyclohexa-2,4-dien-1-ol
CID 143193805
(3Z)-4-imino-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-1-en-2-ol
CID 177021081

Frequently Asked Questions

What is the IUPAC name of sodium (2-methanimidoylbenzene-3-id-1-yl)methanol?
The IUPAC name of sodium (2-methanimidoylbenzene-3-id-1-yl)methanol (CID 155694258) is sodium (2-methanimidoylbenzene-3-id-1-yl)methanol.
What is the SMILES notation for sodium (2-methanimidoylbenzene-3-id-1-yl)methanol?
The canonical SMILES for sodium (2-methanimidoylbenzene-3-id-1-yl)methanol is [H]/N=C/c1[c-]cccc1CO.[Na+].
What is the InChIKey of sodium (2-methanimidoylbenzene-3-id-1-yl)methanol?
The InChIKey is CVMMXGVZQIINIW-SZKNIZGXSA-N. The full InChI is InChI=1S/C8H8NO.Na/c9-5-7-3-1-2-4-8(7)6-10;/h1-2,4-5,9-10H,6H2;/q-1;+1/b9-5+;.
What are the key properties of sodium (2-methanimidoylbenzene-3-id-1-yl)methanol?
sodium (2-methanimidoylbenzene-3-id-1-yl)methanol has a molecular weight of 157.15 g/mol, XLogP of -2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2-methanimidoylbenzene-3-id-1-yl)methanol is sourced from PubChem (CID 155694258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).