(1-cyanocyclopentyl)cyanamide

C7H9N3 — CID 134266824

IUPAC(1-cyanocyclopentyl)cyanamide
SMILESN#CNC1(C#N)CCCC1
InChIInChI=1S/C7H9N3/c8-5-7(10-6-9)3-1-2-4-7/h10H,1-4H2
InChIKeyKRMDLVNBVDSAHK-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.89
Rot. Bonds1

About (1-cyanocyclopentyl)cyanamide

(1-cyanocyclopentyl)cyanamide (PubChem CID 134266824) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is (1-cyanocyclopentyl)cyanamide.

Molecular Properties

Compound Name(1-cyanocyclopentyl)cyanamide
PubChem CID134266824
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name(1-cyanocyclopentyl)cyanamide
SMILESN#CNC1(C#N)CCCC1
InChIInChI=1S/C7H9N3/c8-5-7(10-6-9)3-1-2-4-7/h10H,1-4H2
InChIKeyKRMDLVNBVDSAHK-UHFFFAOYSA-N
XLogP0.89
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-(methylamino)cyclopentane-1-carbonitrile
CID 12945445
1-(tert-butylamino)cyclopentane-1-carbonitrile
CID 20825324
1-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 28702667
1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 28702726
1-(cycloheptylamino)cyclooctane-1-carbonitrile
CID 54894299
(1-cyanocyclopentyl)carbamodithioic acid
CID 3052837
1-cyano-1-(sulfamoylamino)cyclooctane
CID 114959123
2-[(1-cyanocyclohexyl)amino]acetic acid
CID 175519505
1-(3-hydroxypropylamino)cyclohexane-1-carbonitrile
CID 28702725
1-(methylsulfamoylamino)cyclooctane-1-carbonitrile
CID 114807749
N-(1-cyanocyclopentyl)-2,2-dimethylpropanamide
CID 60704873
N-(1-cyanocyclopentyl)propanamide
CID 55029198

Frequently Asked Questions

What is the IUPAC name of (1-cyanocyclopentyl)cyanamide?
The IUPAC name of (1-cyanocyclopentyl)cyanamide (CID 134266824) is (1-cyanocyclopentyl)cyanamide.
What is the SMILES notation for (1-cyanocyclopentyl)cyanamide?
The canonical SMILES for (1-cyanocyclopentyl)cyanamide is N#CNC1(C#N)CCCC1.
What is the InChIKey of (1-cyanocyclopentyl)cyanamide?
The InChIKey is KRMDLVNBVDSAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c8-5-7(10-6-9)3-1-2-4-7/h10H,1-4H2.
What are the key properties of (1-cyanocyclopentyl)cyanamide?
(1-cyanocyclopentyl)cyanamide has a molecular weight of 135.17 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyanocyclopentyl)cyanamide is sourced from PubChem (CID 134266824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).