1-cyano-N-(4-methyl-2-oxochromen-7-yl)-N'-phenylmethanimidamide

C18H13N3O2 — CID 139187516

IUPAC1-cyano-N-(4-methyl-2-oxochromen-7-yl)-N'-phenylmethanimidamide
SMILESCc1cc(=O)oc2cc(N/C(C#N)=N/c3ccccc3)ccc12
InChIInChI=1S/C18H13N3O2/c1-12-9-18(22)23-16-10-14(7-8-15(12)16)21-17(11-19)20-13-5-3-2-4-6-13/h2-10H,1H3,(H,20,21)
InChIKeyKIHGWDOYHDCKMH-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.77
Rot. Bonds2

About 1-cyano-N-(4-methyl-2-oxochromen-7-yl)-N'-phenylmethanimidamide

1-cyano-N-(4-methyl-2-oxochromen-7-yl)-N'-phenylmethanimidamide (PubChem CID 139187516) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-cyano-N-(4-methyl-2-oxochromen-7-yl)-N'-phenylmethanimidamide.

Molecular Properties

Compound Name1-cyano-N-(4-methyl-2-oxochromen-7-yl)-N'-phenylmethanimidamide
PubChem CID139187516
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name1-cyano-N-(4-methyl-2-oxochromen-7-yl)-N'-phenylmethanimidamide
SMILESCc1cc(=O)oc2cc(N/C(C#N)=N/c3ccccc3)ccc12
InChIInChI=1S/C18H13N3O2/c1-12-9-18(22)23-16-10-14(7-8-15(12)16)21-17(11-19)20-13-5-3-2-4-6-13/h2-10H,1H3,(H,20,21)
InChIKeyKIHGWDOYHDCKMH-UHFFFAOYSA-N
XLogP3.77
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

7-anilino-4-methylchromen-2-one
CID 804341
4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841
N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
CID 16551217
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
N-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide
CID 16551195
1-tert-butyl-3-(4-methyl-2-oxochromen-7-yl)urea
CID 110749119
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502
N-(4-methyl-2-oxochromen-7-yl)furan-2-carboxamide
CID 8840067
2-[[(4-methyl-2-oxochromen-7-yl)amino]methyl]benzonitrile
CID 42919621
1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea
CID 94756587
N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide
CID 18170333
1-(4-methyl-2-oxochromen-7-yl)-3-pyridin-4-ylthiourea
CID 19655624

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(4-methyl-2-oxochromen-7-yl)-N'-phenylmethanimidamide?
The IUPAC name of 1-cyano-N-(4-methyl-2-oxochromen-7-yl)-N'-phenylmethanimidamide (CID 139187516) is 1-cyano-N-(4-methyl-2-oxochromen-7-yl)-N'-phenylmethanimidamide.
What is the SMILES notation for 1-cyano-N-(4-methyl-2-oxochromen-7-yl)-N'-phenylmethanimidamide?
The canonical SMILES for 1-cyano-N-(4-methyl-2-oxochromen-7-yl)-N'-phenylmethanimidamide is Cc1cc(=O)oc2cc(N/C(C#N)=N/c3ccccc3)ccc12.
What is the InChIKey of 1-cyano-N-(4-methyl-2-oxochromen-7-yl)-N'-phenylmethanimidamide?
The InChIKey is KIHGWDOYHDCKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-12-9-18(22)23-16-10-14(7-8-15(12)16)21-17(11-19)20-13-5-3-2-4-6-13/h2-10H,1H3,(H,20,21).
What are the key properties of 1-cyano-N-(4-methyl-2-oxochromen-7-yl)-N'-phenylmethanimidamide?
1-cyano-N-(4-methyl-2-oxochromen-7-yl)-N'-phenylmethanimidamide has a molecular weight of 303.32 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4-methyl-2-oxochromen-7-yl)-N'-phenylmethanimidamide is sourced from PubChem (CID 139187516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).