(NE)-N-(2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene)hydroxylamine

C16H11N3O2 — CID 51352627

IUPAC(NE)-N-(2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene)hydroxylamine
SMILESO/N=c1\cc(-c2cc3cccn3cn2)oc2ccccc12
InChIInChI=1S/C16H11N3O2/c20-18-13-9-16(21-15-6-2-1-5-12(13)15)14-8-11-4-3-7-19(11)10-17-14/h1-10,20H/b18-13+
InChIKeyJPHZZNLCVDIFRM-QGOAFFKASA-N
MW277.28 g/mol
LogP3.04
Rot. Bonds1

About (NE)-N-(2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene)hydroxylamine

(NE)-N-(2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene)hydroxylamine (PubChem CID 51352627) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is (NE)-N-(2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene)hydroxylamine
PubChem CID51352627
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name(NE)-N-(2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene)hydroxylamine
SMILESO/N=c1\cc(-c2cc3cccn3cn2)oc2ccccc12
InChIInChI=1S/C16H11N3O2/c20-18-13-9-16(21-15-6-2-1-5-12(13)15)14-8-11-4-3-7-19(11)10-17-14/h1-10,20H/b18-13+
InChIKeyJPHZZNLCVDIFRM-QGOAFFKASA-N
XLogP3.04
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-(2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene)hydroxylamine (CID 51352627) is (NE)-N-(2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene)hydroxylamine is O/N=c1\cc(-c2cc3cccn3cn2)oc2ccccc12.
What is the InChIKey of (NE)-N-(2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene)hydroxylamine?
The InChIKey is JPHZZNLCVDIFRM-QGOAFFKASA-N. The full InChI is InChI=1S/C16H11N3O2/c20-18-13-9-16(21-15-6-2-1-5-12(13)15)14-8-11-4-3-7-19(11)10-17-14/h1-10,20H/b18-13+.
What are the key properties of (NE)-N-(2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene)hydroxylamine?
(NE)-N-(2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene)hydroxylamine has a molecular weight of 277.28 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene)hydroxylamine is sourced from PubChem (CID 51352627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).