N-(2-methyl-4-oxopentan-2-yl)-N-prop-2-enylnitrous amide

C9H16N2O2 — CID 86042582

IUPACN-(2-methyl-4-oxopentan-2-yl)-N-prop-2-enylnitrous amide
SMILESC=CCN(N=O)C(C)(C)CC(C)=O
InChIInChI=1S/C9H16N2O2/c1-5-6-11(10-13)9(3,4)7-8(2)12/h5H,1,6-7H2,2-4H3
InChIKeyYVEGLHFUGMTTDD-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.91
Rot. Bonds6

About N-(2-methyl-4-oxopentan-2-yl)-N-prop-2-enylnitrous amide

N-(2-methyl-4-oxopentan-2-yl)-N-prop-2-enylnitrous amide (PubChem CID 86042582) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(2-methyl-4-oxopentan-2-yl)-N-prop-2-enylnitrous amide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopentan-2-yl)-N-prop-2-enylnitrous amide
PubChem CID86042582
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(2-methyl-4-oxopentan-2-yl)-N-prop-2-enylnitrous amide
SMILESC=CCN(N=O)C(C)(C)CC(C)=O
InChIInChI=1S/C9H16N2O2/c1-5-6-11(10-13)9(3,4)7-8(2)12/h5H,1,6-7H2,2-4H3
InChIKeyYVEGLHFUGMTTDD-UHFFFAOYSA-N
XLogP1.91
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(2-methyl-4-oxopentan-2-yl)nitrous amide
CID 21118672
N-(cyclopropylmethyl)-N-(2-methyl-4-oxopentan-2-yl)nitrous amide
CID 86042576
2-methyl-4-oxopentan-2-olate
CID 101443169
N-(2-oxoethyl)-N-prop-2-enylacetamide
CID 19738524
2-[(2-methylpropan-2-yl)oxy]-N,N-bis(prop-2-enyl)acetamide
CID 112604821
4,4,5,5-tetramethyloctane-2,7-dione
CID 28679
butane-2,3-dione;N,N-dimethylprop-2-en-1-amine;hydrochloride
CID 174374169
5-[bis(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 55157304
tert-butyl N-[(E)-3-oxobut-1-enyl]-N-prop-2-enylcarbamate
CID 11356552
N-prop-2-enyl-N-(trifluoromethyl)acetamide;silane
CID 174452092
(213C)pent-4-en-2-one
CID 173180315
4-hydroxy-4-methylpentan-2-one
CID 87257073

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxopentan-2-yl)-N-prop-2-enylnitrous amide?
The IUPAC name of N-(2-methyl-4-oxopentan-2-yl)-N-prop-2-enylnitrous amide (CID 86042582) is N-(2-methyl-4-oxopentan-2-yl)-N-prop-2-enylnitrous amide.
What is the SMILES notation for N-(2-methyl-4-oxopentan-2-yl)-N-prop-2-enylnitrous amide?
The canonical SMILES for N-(2-methyl-4-oxopentan-2-yl)-N-prop-2-enylnitrous amide is C=CCN(N=O)C(C)(C)CC(C)=O.
What is the InChIKey of N-(2-methyl-4-oxopentan-2-yl)-N-prop-2-enylnitrous amide?
The InChIKey is YVEGLHFUGMTTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-5-6-11(10-13)9(3,4)7-8(2)12/h5H,1,6-7H2,2-4H3.
What are the key properties of N-(2-methyl-4-oxopentan-2-yl)-N-prop-2-enylnitrous amide?
N-(2-methyl-4-oxopentan-2-yl)-N-prop-2-enylnitrous amide has a molecular weight of 184.24 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopentan-2-yl)-N-prop-2-enylnitrous amide is sourced from PubChem (CID 86042582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).