(4-methoxyphenyl)iminocyanamide

C8H7N3O — CID 12569088

IUPAC(4-methoxyphenyl)iminocyanamide
SMILESCOc1ccc(/N=N/C#N)cc1
InChIInChI=1S/C8H7N3O/c1-12-8-4-2-7(3-5-8)11-10-6-9/h2-5H,1H3/b11-10+
InChIKeyFNONOULGEYCGGE-ZHACJKMWSA-N
MW161.16 g/mol
LogP2.26
Rot. Bonds2

About (4-methoxyphenyl)iminocyanamide

(4-methoxyphenyl)iminocyanamide (PubChem CID 12569088) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is (4-methoxyphenyl)iminocyanamide.

Molecular Properties

Compound Name(4-methoxyphenyl)iminocyanamide
PubChem CID12569088
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name(4-methoxyphenyl)iminocyanamide
SMILESCOc1ccc(/N=N/C#N)cc1
InChIInChI=1S/C8H7N3O/c1-12-8-4-2-7(3-5-8)11-10-6-9/h2-5H,1H3/b11-10+
InChIKeyFNONOULGEYCGGE-ZHACJKMWSA-N
XLogP2.26
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)-methyldiazene
CID 20589170
(4-methoxyphenyl)-naphthalen-2-yldiazene
CID 572318
4-methoxy(13C)benzonitrile
CID 175991125
1-cyano-N'-(4-methoxyanilino)-N-(4-methoxyphenyl)iminomethanimidamide
CID 3914053
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
2-bromo-4-[(4-methoxyphenyl)diazenyl]phenol
CID 137315131
tert-butylsulfanyl-(4-methoxyphenyl)diazene
CID 14816148
2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl cyanide
CID 102573910
sodium N-(4-methoxyphenyl)iminosulfamate
CID 23675130
N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline
CID 10589059
CID 131854773
CID 131854773
2-hydroperoxypropan-2-yl-(4-methoxyphenyl)diazene
CID 23583552

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)iminocyanamide?
The IUPAC name of (4-methoxyphenyl)iminocyanamide (CID 12569088) is (4-methoxyphenyl)iminocyanamide.
What is the SMILES notation for (4-methoxyphenyl)iminocyanamide?
The canonical SMILES for (4-methoxyphenyl)iminocyanamide is COc1ccc(/N=N/C#N)cc1.
What is the InChIKey of (4-methoxyphenyl)iminocyanamide?
The InChIKey is FNONOULGEYCGGE-ZHACJKMWSA-N. The full InChI is InChI=1S/C8H7N3O/c1-12-8-4-2-7(3-5-8)11-10-6-9/h2-5H,1H3/b11-10+.
What are the key properties of (4-methoxyphenyl)iminocyanamide?
(4-methoxyphenyl)iminocyanamide has a molecular weight of 161.16 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)iminocyanamide is sourced from PubChem (CID 12569088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).