N-[2-(diaminomethylidenecarbamoyl)-9H-fluoren-9-yl]carbamate

C16H13N4O3- — CID 23151725

IUPACN-[2-(diaminomethylidenecarbamoyl)-9H-fluoren-9-yl]carbamate
SMILESNC(N)=NC(=O)c1ccc2c(c1)C(NC(=O)[O-])c1ccccc1-2
InChIInChI=1S/C16H14N4O3/c17-15(18)20-14(21)8-5-6-10-9-3-1-2-4-11(9)13(12(10)7-8)19-16(22)23/h1-7,13,19H,(H,22,23)(H4,17,18,20,21)/p-1
InChIKeyMBHMKPYKMVQQNU-UHFFFAOYSA-M
MW309.31 g/mol
LogP0.10
Rot. Bonds2

About N-[2-(diaminomethylidenecarbamoyl)-9H-fluoren-9-yl]carbamate

N-[2-(diaminomethylidenecarbamoyl)-9H-fluoren-9-yl]carbamate (PubChem CID 23151725) has the molecular formula C16H13N4O3- and a molecular weight of 309.31 g/mol. Its IUPAC name is N-[2-(diaminomethylidenecarbamoyl)-9H-fluoren-9-yl]carbamate.

Molecular Properties

Compound NameN-[2-(diaminomethylidenecarbamoyl)-9H-fluoren-9-yl]carbamate
PubChem CID23151725
Molecular FormulaC16H13N4O3-
Molecular Weight309.31 g/mol
Exact Mass309.10
IUPAC NameN-[2-(diaminomethylidenecarbamoyl)-9H-fluoren-9-yl]carbamate
SMILESNC(N)=NC(=O)c1ccc2c(c1)C(NC(=O)[O-])c1ccccc1-2
InChIInChI=1S/C16H14N4O3/c17-15(18)20-14(21)8-5-6-10-9-3-1-2-4-11(9)13(12(10)7-8)19-16(22)23/h1-7,13,19H,(H,22,23)(H4,17,18,20,21)/p-1
InChIKeyMBHMKPYKMVQQNU-UHFFFAOYSA-M
XLogP0.10
TPSA133.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(diaminomethylidenecarbamoyl)-9H-fluoren-9-yl]carbamate 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 N-[2-(diaminomethylidenecarbamoyl)-9H-fluoren-9-yl]carbamate?
The IUPAC name of N-[2-(diaminomethylidenecarbamoyl)-9H-fluoren-9-yl]carbamate (CID 23151725) is N-[2-(diaminomethylidenecarbamoyl)-9H-fluoren-9-yl]carbamate.
What is the SMILES notation for N-[2-(diaminomethylidenecarbamoyl)-9H-fluoren-9-yl]carbamate?
The canonical SMILES for N-[2-(diaminomethylidenecarbamoyl)-9H-fluoren-9-yl]carbamate is NC(N)=NC(=O)c1ccc2c(c1)C(NC(=O)[O-])c1ccccc1-2.
What is the InChIKey of N-[2-(diaminomethylidenecarbamoyl)-9H-fluoren-9-yl]carbamate?
The InChIKey is MBHMKPYKMVQQNU-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14N4O3/c17-15(18)20-14(21)8-5-6-10-9-3-1-2-4-11(9)13(12(10)7-8)19-16(22)23/h1-7,13,19H,(H,22,23)(H4,17,18,20,21)/p-1.
What are the key properties of N-[2-(diaminomethylidenecarbamoyl)-9H-fluoren-9-yl]carbamate?
N-[2-(diaminomethylidenecarbamoyl)-9H-fluoren-9-yl]carbamate has a molecular weight of 309.31 g/mol, XLogP of 0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diaminomethylidenecarbamoyl)-9H-fluoren-9-yl]carbamate is sourced from PubChem (CID 23151725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).