N,N-bis(cyanomethyl)oxolane-2-carboxamide

C9H11N3O2 — CID 3626006

IUPACN,N-bis(cyanomethyl)oxolane-2-carboxamide
SMILESN#CCN(CC#N)C(=O)C1CCCO1
InChIInChI=1S/C9H11N3O2/c10-3-5-12(6-4-11)9(13)8-2-1-7-14-8/h8H,1-2,5-7H2
InChIKeyPXGMKZAOCLVMDU-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.04
Rot. Bonds3

About N,N-bis(cyanomethyl)oxolane-2-carboxamide

N,N-bis(cyanomethyl)oxolane-2-carboxamide (PubChem CID 3626006) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)oxolane-2-carboxamide
PubChem CID3626006
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC NameN,N-bis(cyanomethyl)oxolane-2-carboxamide
SMILESN#CCN(CC#N)C(=O)C1CCCO1
InChIInChI=1S/C9H11N3O2/c10-3-5-12(6-4-11)9(13)8-2-1-7-14-8/h8H,1-2,5-7H2
InChIKeyPXGMKZAOCLVMDU-UHFFFAOYSA-N
XLogP0.04
TPSA77.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-N-(2-methylpropyl)oxolane-2-carboxamide
CID 60654495
2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid
CID 104855690
N,N-dibutyloxolane-2-carboxamide
CID 3414196
N-ethyl-N-prop-2-enyloxolane-2-carboxamide
CID 84558498
methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate
CID 103872780
methyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate
CID 55151948
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide
CID 51081068
3-[ethyl-[(2R)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid
CID 104855658
N-cyclobutyl-N-methyloxolane-2-carboxamide
CID 127002329
3-[2-methylpropyl-[(2S)-oxolane-2-carbonyl]amino]propanoic acid
CID 95538874
methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate
CID 61009322
(2S)-N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide
CID 103874332

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyanomethyl)oxolane-2-carboxamide?
The IUPAC name of N,N-bis(cyanomethyl)oxolane-2-carboxamide (CID 3626006) is N,N-bis(cyanomethyl)oxolane-2-carboxamide.
What is the SMILES notation for N,N-bis(cyanomethyl)oxolane-2-carboxamide?
The canonical SMILES for N,N-bis(cyanomethyl)oxolane-2-carboxamide is N#CCN(CC#N)C(=O)C1CCCO1.
What is the InChIKey of N,N-bis(cyanomethyl)oxolane-2-carboxamide?
The InChIKey is PXGMKZAOCLVMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-3-5-12(6-4-11)9(13)8-2-1-7-14-8/h8H,1-2,5-7H2.
What are the key properties of N,N-bis(cyanomethyl)oxolane-2-carboxamide?
N,N-bis(cyanomethyl)oxolane-2-carboxamide has a molecular weight of 193.21 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)oxolane-2-carboxamide is sourced from PubChem (CID 3626006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).