[(3S)-3-methyl-2-oxopentyl]iminoazanide

C6H11N2O- — CID 140537043

IUPAC[(3S)-3-methyl-2-oxopentyl]iminoazanide
SMILESCC[C@H](C)C(=O)CN=[N-]
InChIInChI=1S/C6H11N2O/c1-3-5(2)6(9)4-8-7/h5H,3-4H2,1-2H3/q-1/t5-/m0/s1
InChIKeyNLVQRXZRCASLSO-YFKPBYRVSA-N
MW127.17 g/mol
LogP1.62
Rot. Bonds4

About [(3S)-3-methyl-2-oxopentyl]iminoazanide

[(3S)-3-methyl-2-oxopentyl]iminoazanide (PubChem CID 140537043) has the molecular formula C6H11N2O- and a molecular weight of 127.17 g/mol. Its IUPAC name is [(3S)-3-methyl-2-oxopentyl]iminoazanide.

Molecular Properties

Compound Name[(3S)-3-methyl-2-oxopentyl]iminoazanide
PubChem CID140537043
Molecular FormulaC6H11N2O-
Molecular Weight127.17 g/mol
Exact Mass127.09
IUPAC Name[(3S)-3-methyl-2-oxopentyl]iminoazanide
SMILESCC[C@H](C)C(=O)CN=[N-]
InChIInChI=1S/C6H11N2O/c1-3-5(2)6(9)4-8-7/h5H,3-4H2,1-2H3/q-1/t5-/m0/s1
InChIKeyNLVQRXZRCASLSO-YFKPBYRVSA-N
XLogP1.62
TPSA51.73 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methyl-2-oxopentyl]iminoazanide?
The IUPAC name of [(3S)-3-methyl-2-oxopentyl]iminoazanide (CID 140537043) is [(3S)-3-methyl-2-oxopentyl]iminoazanide.
What is the SMILES notation for [(3S)-3-methyl-2-oxopentyl]iminoazanide?
The canonical SMILES for [(3S)-3-methyl-2-oxopentyl]iminoazanide is CC[C@H](C)C(=O)CN=[N-].
What is the InChIKey of [(3S)-3-methyl-2-oxopentyl]iminoazanide?
The InChIKey is NLVQRXZRCASLSO-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11N2O/c1-3-5(2)6(9)4-8-7/h5H,3-4H2,1-2H3/q-1/t5-/m0/s1.
What are the key properties of [(3S)-3-methyl-2-oxopentyl]iminoazanide?
[(3S)-3-methyl-2-oxopentyl]iminoazanide has a molecular weight of 127.17 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methyl-2-oxopentyl]iminoazanide is sourced from PubChem (CID 140537043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).