(9R)-N-(diaminomethylidene)spiro[fluorene-9,2'-oxolane]-2-carboxamide

C18H17N3O2 — CID 11536843

IUPAC(9R)-N-(diaminomethylidene)spiro[fluorene-9,2'-oxolane]-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc2c(c1)[C@@]1(CCCO1)c1ccccc1-2
InChIInChI=1S/C18H17N3O2/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22)/t18-/m1/s1
InChIKeyAWJQWLYQYNSCDJ-GOSISDBHSA-N
MW307.35 g/mol
LogP2.13
Rot. Bonds1

About (9R)-N-(diaminomethylidene)spiro[fluorene-9,2'-oxolane]-2-carboxamide

(9R)-N-(diaminomethylidene)spiro[fluorene-9,2'-oxolane]-2-carboxamide (PubChem CID 11536843) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (9R)-N-(diaminomethylidene)spiro[fluorene-9,2'-oxolane]-2-carboxamide.

Molecular Properties

Compound Name(9R)-N-(diaminomethylidene)spiro[fluorene-9,2'-oxolane]-2-carboxamide
PubChem CID11536843
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(9R)-N-(diaminomethylidene)spiro[fluorene-9,2'-oxolane]-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc2c(c1)[C@@]1(CCCO1)c1ccccc1-2
InChIInChI=1S/C18H17N3O2/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22)/t18-/m1/s1
InChIKeyAWJQWLYQYNSCDJ-GOSISDBHSA-N
XLogP2.13
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (9R)-N-(diaminomethylidene)spiro[fluorene-9,2'-oxolane]-2-carboxamide?
The IUPAC name of (9R)-N-(diaminomethylidene)spiro[fluorene-9,2'-oxolane]-2-carboxamide (CID 11536843) is (9R)-N-(diaminomethylidene)spiro[fluorene-9,2'-oxolane]-2-carboxamide.
What is the SMILES notation for (9R)-N-(diaminomethylidene)spiro[fluorene-9,2'-oxolane]-2-carboxamide?
The canonical SMILES for (9R)-N-(diaminomethylidene)spiro[fluorene-9,2'-oxolane]-2-carboxamide is NC(N)=NC(=O)c1ccc2c(c1)[C@@]1(CCCO1)c1ccccc1-2.
What is the InChIKey of (9R)-N-(diaminomethylidene)spiro[fluorene-9,2'-oxolane]-2-carboxamide?
The InChIKey is AWJQWLYQYNSCDJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17N3O2/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22)/t18-/m1/s1.
What are the key properties of (9R)-N-(diaminomethylidene)spiro[fluorene-9,2'-oxolane]-2-carboxamide?
(9R)-N-(diaminomethylidene)spiro[fluorene-9,2'-oxolane]-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-N-(diaminomethylidene)spiro[fluorene-9,2'-oxolane]-2-carboxamide is sourced from PubChem (CID 11536843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).