N-cyanoadamantane-1-carboxamide

C12H16N2O — CID 14054630

IUPACN-cyanoadamantane-1-carboxamide
SMILESN#CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H16N2O/c13-7-14-11(15)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-6H2,(H,14,15)
InChIKeyYIWCDTPNXTUTIO-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.80
Rot. Bonds1

About N-cyanoadamantane-1-carboxamide

N-cyanoadamantane-1-carboxamide (PubChem CID 14054630) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-cyanoadamantane-1-carboxamide.

Molecular Properties

Compound NameN-cyanoadamantane-1-carboxamide
PubChem CID14054630
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-cyanoadamantane-1-carboxamide
SMILESN#CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H16N2O/c13-7-14-11(15)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-6H2,(H,14,15)
InChIKeyYIWCDTPNXTUTIO-UHFFFAOYSA-N
XLogP1.80
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

Tricyclo(3.3.1.13,7)decane-1-carboxamide
CID 21686
1,3-Adamantanediacetamide
CID 541702
3,5,7-Trimethyl-1-adamantanecarboxamide
CID 2834336
2-(adamantan-1-yl)-N-methylacetamide
CID 610088
Tricyclo(3.3.1.13,7)decan-1-acetamide
CID 86819
N-tert-butyladamantane-1-carboxamide
CID 2836044
3-Fluoro-1-adamantanecarboxamide
CID 371824
Adamantane-1,3-dicarboxamide
CID 721756
3,5-Dimethyladamantane-1-carboxamide
CID 2834546
N,3,5,7-tetramethyladamantane-1-carboxamide
CID 2942239
3-Carbamoylmethyl-adamantane-1-carboxylic acid amide
CID 3453192
N-methyladamantane-1-carboxamide
CID 4562539

Frequently Asked Questions

What is the IUPAC name of N-cyanoadamantane-1-carboxamide?
The IUPAC name of N-cyanoadamantane-1-carboxamide (CID 14054630) is N-cyanoadamantane-1-carboxamide.
What is the SMILES notation for N-cyanoadamantane-1-carboxamide?
The canonical SMILES for N-cyanoadamantane-1-carboxamide is N#CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-cyanoadamantane-1-carboxamide?
The InChIKey is YIWCDTPNXTUTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-7-14-11(15)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-6H2,(H,14,15).
What are the key properties of N-cyanoadamantane-1-carboxamide?
N-cyanoadamantane-1-carboxamide has a molecular weight of 204.27 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyanoadamantane-1-carboxamide is sourced from PubChem (CID 14054630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).