ethyl N-[bis(prop-2-enyl)amino]carbamate;hydrochloride

C9H17ClN2O2 — CID 173337215

IUPACethyl N-[bis(prop-2-enyl)amino]carbamate;hydrochloride
SMILESC=CCN(CC=C)NC(=O)OCC.Cl
InChIInChI=1S/C9H16N2O2.ClH/c1-4-7-11(8-5-2)10-9(12)13-6-3;/h4-5H,1-2,6-8H2,3H3,(H,10,12);1H
InChIKeyNYSORBDZLAHCFG-UHFFFAOYSA-N
MW220.70 g/mol
LogP1.74
Rot. Bonds6

About ethyl N-[bis(prop-2-enyl)amino]carbamate;hydrochloride

ethyl N-[bis(prop-2-enyl)amino]carbamate;hydrochloride (PubChem CID 173337215) has the molecular formula C9H17ClN2O2 and a molecular weight of 220.70 g/mol. Its IUPAC name is ethyl N-[bis(prop-2-enyl)amino]carbamate;hydrochloride.

Molecular Properties

Compound Nameethyl N-[bis(prop-2-enyl)amino]carbamate;hydrochloride
PubChem CID173337215
Molecular FormulaC9H17ClN2O2
Molecular Weight220.70 g/mol
Exact Mass220.10
IUPAC Nameethyl N-[bis(prop-2-enyl)amino]carbamate;hydrochloride
SMILESC=CCN(CC=C)NC(=O)OCC.Cl
InChIInChI=1S/C9H16N2O2.ClH/c1-4-7-11(8-5-2)10-9(12)13-6-3;/h4-5H,1-2,6-8H2,3H3,(H,10,12);1H
InChIKeyNYSORBDZLAHCFG-UHFFFAOYSA-N
XLogP1.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(ethoxycarbonylamino)-N-prop-2-enylcarbamate;hydrate
CID 141261132
ethyl N-ethenoxycarbamate
CID 57488502
ethyl N-fluoro-N-prop-2-enylcarbamate
CID 88867877
ethyl N-[acetyl(methyl)amino]carbamate
CID 175377387
ethyl N-propanoyl-N-prop-2-enylcarbamate
CID 19738530
ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate
CID 87228347
ethyl 2-aminohex-5-enoate;hydrochloride
CID 162341778
ethyl N-but-3-enoxycarbonylcarbamate
CID 15307637
ethyl N-pent-4-en-2-ylcarbamate
CID 112691558
ethyl N-ethenylsilylcarbamate
CID 173181383
2-amino-3-methoxy-N,N-bis(prop-2-enyl)propanamide
CID 81081149
ethyl N-methylcarbamate;formaldehyde
CID 160650405

Frequently Asked Questions

What is the IUPAC name of ethyl N-[bis(prop-2-enyl)amino]carbamate;hydrochloride?
The IUPAC name of ethyl N-[bis(prop-2-enyl)amino]carbamate;hydrochloride (CID 173337215) is ethyl N-[bis(prop-2-enyl)amino]carbamate;hydrochloride.
What is the SMILES notation for ethyl N-[bis(prop-2-enyl)amino]carbamate;hydrochloride?
The canonical SMILES for ethyl N-[bis(prop-2-enyl)amino]carbamate;hydrochloride is C=CCN(CC=C)NC(=O)OCC.Cl.
What is the InChIKey of ethyl N-[bis(prop-2-enyl)amino]carbamate;hydrochloride?
The InChIKey is NYSORBDZLAHCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2.ClH/c1-4-7-11(8-5-2)10-9(12)13-6-3;/h4-5H,1-2,6-8H2,3H3,(H,10,12);1H.
What are the key properties of ethyl N-[bis(prop-2-enyl)amino]carbamate;hydrochloride?
ethyl N-[bis(prop-2-enyl)amino]carbamate;hydrochloride has a molecular weight of 220.70 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[bis(prop-2-enyl)amino]carbamate;hydrochloride is sourced from PubChem (CID 173337215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).