(NZ)-N-[(1-prop-2-ynylimidazol-2-yl)methylidene]hydroxylamine

C7H7N3O — CID 137395527

IUPAC(NZ)-N-[(1-prop-2-ynylimidazol-2-yl)methylidene]hydroxylamine
SMILESC#CCn1ccnc1/C=N\O
InChIInChI=1S/C7H7N3O/c1-2-4-10-5-3-8-7(10)6-9-11/h1,3,5-6,11H,4H2/b9-6-
InChIKeyPKYYLLPYZNMXIZ-TWGQIWQCSA-N
MW149.15 g/mol
LogP0.32
Rot. Bonds2

About (NZ)-N-[(1-prop-2-ynylimidazol-2-yl)methylidene]hydroxylamine

(NZ)-N-[(1-prop-2-ynylimidazol-2-yl)methylidene]hydroxylamine (PubChem CID 137395527) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is (NZ)-N-[(1-prop-2-ynylimidazol-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1-prop-2-ynylimidazol-2-yl)methylidene]hydroxylamine
PubChem CID137395527
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name(NZ)-N-[(1-prop-2-ynylimidazol-2-yl)methylidene]hydroxylamine
SMILESC#CCn1ccnc1/C=N\O
InChIInChI=1S/C7H7N3O/c1-2-4-10-5-3-8-7(10)6-9-11/h1,3,5-6,11H,4H2/b9-6-
InChIKeyPKYYLLPYZNMXIZ-TWGQIWQCSA-N
XLogP0.32
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[[1-(3-bromopropyl)imidazol-2-yl]methylidene]hydroxylamine
CID 136951143
(NE)-N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methylidene]hydroxylamine
CID 140737146
(NE)-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methylidene]hydroxylamine
CID 140658225
1-[4-[2-[(E)-hydroxyiminomethyl]imidazol-1-yl]butyl]-3,6-dimethylpyrimidine-2,4-dione
CID 155545245
N-phenyl-1-prop-2-ynylimidazol-2-amine
CID 88690994
(NE)-N-[[1-[5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentyl]imidazol-2-yl]methylidene]hydroxylamine
CID 137007072
(NE)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methylidene]hydroxylamine
CID 137167926
1-but-3-enyl-2-ethenylimidazole
CID 143678686
but-3-ynyl 3-(1-ethylimidazol-2-yl)prop-2-enoate
CID 91944186
(NE)-N-[(1-prop-2-ynylindol-2-yl)methylidene]hydroxylamine
CID 162405790
2-[(1-tetradecylimidazol-2-yl)methylideneamino]ethanol
CID 71348795
1-(2-chloroethyl)imidazole-2-carbaldehyde
CID 55267738

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(1-prop-2-ynylimidazol-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1-prop-2-ynylimidazol-2-yl)methylidene]hydroxylamine (CID 137395527) is (NZ)-N-[(1-prop-2-ynylimidazol-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1-prop-2-ynylimidazol-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1-prop-2-ynylimidazol-2-yl)methylidene]hydroxylamine is C#CCn1ccnc1/C=N\O.
What is the InChIKey of (NZ)-N-[(1-prop-2-ynylimidazol-2-yl)methylidene]hydroxylamine?
The InChIKey is PKYYLLPYZNMXIZ-TWGQIWQCSA-N. The full InChI is InChI=1S/C7H7N3O/c1-2-4-10-5-3-8-7(10)6-9-11/h1,3,5-6,11H,4H2/b9-6-.
What are the key properties of (NZ)-N-[(1-prop-2-ynylimidazol-2-yl)methylidene]hydroxylamine?
(NZ)-N-[(1-prop-2-ynylimidazol-2-yl)methylidene]hydroxylamine has a molecular weight of 149.15 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1-prop-2-ynylimidazol-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 137395527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).