1-cyanocyclopropane-1-carboxamide;molecular hydrogen

C5H8N2O — CID 165408277

IUPAC1-cyanocyclopropane-1-carboxamide;molecular hydrogen
SMILESN#CC1(C(N)=O)CC1.[H][H]
InChIInChI=1S/C5H6N2O.H2/c6-3-5(1-2-5)4(7)8;/h1-2H2,(H2,7,8);1H
InChIKeyLANAGWDGMQBCOL-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.02
Rot. Bonds1

About 1-cyanocyclopropane-1-carboxamide;molecular hydrogen

1-cyanocyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 165408277) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 1-cyanocyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-cyanocyclopropane-1-carboxamide;molecular hydrogen
PubChem CID165408277
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name1-cyanocyclopropane-1-carboxamide;molecular hydrogen
SMILESN#CC1(C(N)=O)CC1.[H][H]
InChIInChI=1S/C5H6N2O.H2/c6-3-5(1-2-5)4(7)8;/h1-2H2,(H2,7,8);1H
InChIKeyLANAGWDGMQBCOL-UHFFFAOYSA-N
XLogP0.02
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyanocyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-cyanocyclopropane-1-carboxamide;molecular hydrogen (CID 165408277) is 1-cyanocyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-cyanocyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-cyanocyclopropane-1-carboxamide;molecular hydrogen is N#CC1(C(N)=O)CC1.[H][H].
What is the InChIKey of 1-cyanocyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is LANAGWDGMQBCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.H2/c6-3-5(1-2-5)4(7)8;/h1-2H2,(H2,7,8);1H.
What are the key properties of 1-cyanocyclopropane-1-carboxamide;molecular hydrogen?
1-cyanocyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 112.13 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyanocyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 165408277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).