azane;N-(3-chloro-3-methylbutan-2-yl)prop-2-enamide

C8H17ClN2O — CID 87146686

IUPACazane;N-(3-chloro-3-methylbutan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)C(C)(C)Cl.N
InChIInChI=1S/C8H14ClNO.H3N/c1-5-7(11)10-6(2)8(3,4)9;/h5-6H,1H2,2-4H3,(H,10,11);1H3
InChIKeyQIWWSKHMACCERR-UHFFFAOYSA-N
MW192.69 g/mol
LogP1.86
Rot. Bonds3

About azane;N-(3-chloro-3-methylbutan-2-yl)prop-2-enamide

azane;N-(3-chloro-3-methylbutan-2-yl)prop-2-enamide (PubChem CID 87146686) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is azane;N-(3-chloro-3-methylbutan-2-yl)prop-2-enamide.

Molecular Properties

Compound Nameazane;N-(3-chloro-3-methylbutan-2-yl)prop-2-enamide
PubChem CID87146686
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Nameazane;N-(3-chloro-3-methylbutan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)C(C)(C)Cl.N
InChIInChI=1S/C8H14ClNO.H3N/c1-5-7(11)10-6(2)8(3,4)9;/h5-6H,1H2,2-4H3,(H,10,11);1H3
InChIKeyQIWWSKHMACCERR-UHFFFAOYSA-N
XLogP1.86
TPSA64.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-3-methylbutan-2-yl)prop-2-enamide
CID 87146687
N-(3-hydroxy-3-methylbutan-2-yl)prop-2-enamide
CID 130862795
N-(2,2,4-trimethylpentan-3-yl)prop-2-enamide
CID 23505015
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
sodium N-propan-2-ylprop-2-enamide
CID 19004870
N-[3-(2,3-dimethylbutoxy)-3-methylbutan-2-yl]prop-2-enamide
CID 142409131
sodium;hydride;N-propan-2-ylprop-2-enamide
CID 173347226
azane;2,2-dimethyl-1-(prop-2-enoylamino)propane-1-sulfonic acid
CID 174724043
[2-methyl-1-(prop-2-enoylamino)propyl]phosphonic acid
CID 22111436
N-[(2S)-1,2-dihydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 129044406
azane;2-methyl-1-(prop-2-enoylamino)propane-1-sulfonic acid
CID 173264796
1-(prop-2-enoylamino)ethanesulfonic acid
CID 18361641

Frequently Asked Questions

What is the IUPAC name of azane;N-(3-chloro-3-methylbutan-2-yl)prop-2-enamide?
The IUPAC name of azane;N-(3-chloro-3-methylbutan-2-yl)prop-2-enamide (CID 87146686) is azane;N-(3-chloro-3-methylbutan-2-yl)prop-2-enamide.
What is the SMILES notation for azane;N-(3-chloro-3-methylbutan-2-yl)prop-2-enamide?
The canonical SMILES for azane;N-(3-chloro-3-methylbutan-2-yl)prop-2-enamide is C=CC(=O)NC(C)C(C)(C)Cl.N.
What is the InChIKey of azane;N-(3-chloro-3-methylbutan-2-yl)prop-2-enamide?
The InChIKey is QIWWSKHMACCERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO.H3N/c1-5-7(11)10-6(2)8(3,4)9;/h5-6H,1H2,2-4H3,(H,10,11);1H3.
What are the key properties of azane;N-(3-chloro-3-methylbutan-2-yl)prop-2-enamide?
azane;N-(3-chloro-3-methylbutan-2-yl)prop-2-enamide has a molecular weight of 192.69 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-(3-chloro-3-methylbutan-2-yl)prop-2-enamide is sourced from PubChem (CID 87146686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).