3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoyl chloride

C11H18ClNO — CID 39254844

IUPAC3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoyl chloride
SMILESC=CCN(CC=C)CC(C)(C)C(=O)Cl
InChIInChI=1S/C11H18ClNO/c1-5-7-13(8-6-2)9-11(3,4)10(12)14/h5-6H,1-2,7-9H2,3-4H3
InChIKeyKSEPRUCIFVJCBM-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.45
Rot. Bonds7

About 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoyl chloride

3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoyl chloride (PubChem CID 39254844) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoyl chloride.

Molecular Properties

Compound Name3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoyl chloride
PubChem CID39254844
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoyl chloride
SMILESC=CCN(CC=C)CC(C)(C)C(=O)Cl
InChIInChI=1S/C11H18ClNO/c1-5-7-13(8-6-2)9-11(3,4)10(12)14/h5-6H,1-2,7-9H2,3-4H3
InChIKeyKSEPRUCIFVJCBM-UHFFFAOYSA-N
XLogP2.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

chloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid
CID 22495089
N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
CID 173029925
1-[bis(prop-2-enyl)amino]-4,4-dimethylpentan-3-one
CID 62623498
3-[bis(prop-2-enyl)amino]-2,2-dichloropropanal
CID 167227882
2-[(2-hydroxy-2-methylbutyl)-prop-2-enylamino]acetic acid
CID 114495036
methyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride
CID 173397356
3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal
CID 62276195
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethyl-N-prop-2-enylpropanamide
CID 55246582
N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethyl-N-prop-2-enylpropanamide
CID 60646090
ditert-butyl 2-[[bis(prop-2-enyl)amino]methyl]-4-methanidyl-2-methylpentanedioate
CID 21364876
chloromethane;chromium;prop-2-enoic acid
CID 174311629
2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 54818050

Frequently Asked Questions

What is the IUPAC name of 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoyl chloride?
The IUPAC name of 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoyl chloride (CID 39254844) is 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoyl chloride.
What is the SMILES notation for 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoyl chloride?
The canonical SMILES for 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoyl chloride is C=CCN(CC=C)CC(C)(C)C(=O)Cl.
What is the InChIKey of 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoyl chloride?
The InChIKey is KSEPRUCIFVJCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO/c1-5-7-13(8-6-2)9-11(3,4)10(12)14/h5-6H,1-2,7-9H2,3-4H3.
What are the key properties of 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoyl chloride?
3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoyl chloride has a molecular weight of 215.72 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoyl chloride is sourced from PubChem (CID 39254844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).