CID 140659696

C7H13N2O — CID 140659696

IUPAC—
SMILES[CH2]C(=O)CN1CCNCC1
InChIInChI=1S/C7H13N2O/c1-7(10)6-9-4-2-8-3-5-9/h8H,1-6H2
InChIKeyVRUVZGDSMCQXRE-UHFFFAOYSA-N
MW141.19 g/mol
LogP-0.71
Rot. Bonds2

About CID 140659696

CID 140659696 (PubChem CID 140659696) has the molecular formula C7H13N2O and a molecular weight of 141.19 g/mol.

Molecular Properties

Compound NameCID 140659696
PubChem CID140659696
Molecular FormulaC7H13N2O
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name—
SMILES[CH2]C(=O)CN1CCNCC1
InChIInChI=1S/C7H13N2O/c1-7(10)6-9-4-2-8-3-5-9/h8H,1-6H2
InChIKeyVRUVZGDSMCQXRE-UHFFFAOYSA-N
XLogP-0.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;dihydrochloride
CID 154804834
2-piperazin-1-ylacetyl iodide
CID 153235141
1-((415N)1,4-diazinan-1-yl)propan-2-one
CID 58823346
2-piperazin-1-ylacetic acid;dihydrochloride
CID 53433190
cesium 2-piperazin-1-ylacetate
CID 143618324
ethane;2-piperazin-1-ylacetic acid
CID 143723779
prop-2-enyl 2-(1,4,7,10-tetrazacyclododec-1-yl)acetate
CID 53487771
N-iodo-2-piperazin-1-ylacetamide
CID 171526171
trisodium;2-[4,7-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;hydride
CID 174236195
diethyl-hydroxy-(2-piperazin-1-ylacetyl)azanium
CID 173075950
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 143227014

Frequently Asked Questions

What is the IUPAC name of CID 140659696?
The IUPAC name of CID 140659696 (CID 140659696) is not available.
What is the SMILES notation for CID 140659696?
The canonical SMILES for CID 140659696 is [CH2]C(=O)CN1CCNCC1.
What is the InChIKey of CID 140659696?
The InChIKey is VRUVZGDSMCQXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N2O/c1-7(10)6-9-4-2-8-3-5-9/h8H,1-6H2.
What are the key properties of CID 140659696?
CID 140659696 has a molecular weight of 141.19 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140659696 is sourced from PubChem (CID 140659696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).