N-benzyl-N-prop-2-ynylnitramide

C10H10N2O2 — CID 151317576

IUPACN-benzyl-N-prop-2-ynylnitramide
SMILESC#CCN(Cc1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C10H10N2O2/c1-2-8-11(12(13)14)9-10-6-4-3-5-7-10/h1,3-7H,8-9H2
InChIKeyOFTLZGFCSKPWPM-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.31
Rot. Bonds4

About N-benzyl-N-prop-2-ynylnitramide

N-benzyl-N-prop-2-ynylnitramide (PubChem CID 151317576) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is N-benzyl-N-prop-2-ynylnitramide.

Molecular Properties

Compound NameN-benzyl-N-prop-2-ynylnitramide
PubChem CID151317576
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC NameN-benzyl-N-prop-2-ynylnitramide
SMILESC#CCN(Cc1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C10H10N2O2/c1-2-8-11(12(13)14)9-10-6-4-3-5-7-10/h1,3-7H,8-9H2
InChIKeyOFTLZGFCSKPWPM-UHFFFAOYSA-N
XLogP1.31
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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

N-benzyl-N-(dimethylsulfamoyl)prop-2-yn-1-amine
CID 13295163
N-benzyl-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
CID 23507092
N-benzyl-N-[benzyl(methoxy)amino]nitramide
CID 91193975
N,N-dibenzyl-2-nitroethenamine
CID 67458261
(Z)-N,N-dibenzyl-2-nitroethenamine
CID 67458258
methyl 2-[benzyl(prop-2-ynyl)amino]acetate
CID 87487327
N-benzyl-N-(naphthalen-2-ylmethyl)prop-2-yn-1-amine
CID 10446658
N,N-dibenzyl-2-nitroacetamide
CID 108814407
N,N-dibenzyl-3,5-dinitroaniline
CID 7237184
N-methyl-N-(2-phenylethyl)prop-2-yn-1-amine
CID 10012396
N-benzyl-N-prop-2-ynyladamantan-1-amine
CID 86288978
sodium N,N-dibenzylsulfamate
CID 141380855

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-prop-2-ynylnitramide?
The IUPAC name of N-benzyl-N-prop-2-ynylnitramide (CID 151317576) is N-benzyl-N-prop-2-ynylnitramide.
What is the SMILES notation for N-benzyl-N-prop-2-ynylnitramide?
The canonical SMILES for N-benzyl-N-prop-2-ynylnitramide is C#CCN(Cc1ccccc1)[N+](=O)[O-].
What is the InChIKey of N-benzyl-N-prop-2-ynylnitramide?
The InChIKey is OFTLZGFCSKPWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-8-11(12(13)14)9-10-6-4-3-5-7-10/h1,3-7H,8-9H2.
What are the key properties of N-benzyl-N-prop-2-ynylnitramide?
N-benzyl-N-prop-2-ynylnitramide has a molecular weight of 190.20 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-prop-2-ynylnitramide is sourced from PubChem (CID 151317576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).