prop-2-enyl N-(N'-propan-2-ylcarbamimidoyl)carbamate

C8H15N3O2 — CID 154984724

IUPACprop-2-enyl N-(N'-propan-2-ylcarbamimidoyl)carbamate
SMILESC=CCOC(=O)N/C(N)=N/C(C)C
InChIInChI=1S/C8H15N3O2/c1-4-5-13-8(12)11-7(9)10-6(2)3/h4,6H,1,5H2,2-3H3,(H3,9,10,11,12)
InChIKeyRXENNJZCZAMXMM-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.62
Rot. Bonds3

About prop-2-enyl N-(N'-propan-2-ylcarbamimidoyl)carbamate

prop-2-enyl N-(N'-propan-2-ylcarbamimidoyl)carbamate (PubChem CID 154984724) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is prop-2-enyl N-(N'-propan-2-ylcarbamimidoyl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(N'-propan-2-ylcarbamimidoyl)carbamate
PubChem CID154984724
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Nameprop-2-enyl N-(N'-propan-2-ylcarbamimidoyl)carbamate
SMILESC=CCOC(=O)N/C(N)=N/C(C)C
InChIInChI=1S/C8H15N3O2/c1-4-5-13-8(12)11-7(9)10-6(2)3/h4,6H,1,5H2,2-3H3,(H3,9,10,11,12)
InChIKeyRXENNJZCZAMXMM-UHFFFAOYSA-N
XLogP0.62
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(N'-propan-2-ylcarbamimidoyl)carbamate;hydrochloride
CID 140974987
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CID 22826694
prop-2-enyl N-(2-aminopropyl)carbamate
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prop-2-enyl N-[(Z)-1-(methylideneamino)-2-sulfanylethenyl]carbamate
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prop-2-enyl 2-aminopropanoate
CID 91515395
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prop-2-enyl N-sulfanylcarbamate
CID 90994311
prop-2-enyl N'-[di(propan-2-yl)carbamoyl]carbamimidate
CID 21442393
bis(prop-2-enyl) 2-hydroxypropanedioate
CID 14329928
3-methyl-2-[(prop-2-enoxycarbonylamino)methyl]butanoic acid
CID 65220019
(3S,4R)-4-methyl-3-(prop-2-enoxycarbonylamino)hexanoic acid
CID 166000578
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CID 166915171

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-(N'-propan-2-ylcarbamimidoyl)carbamate?
The IUPAC name of prop-2-enyl N-(N'-propan-2-ylcarbamimidoyl)carbamate (CID 154984724) is prop-2-enyl N-(N'-propan-2-ylcarbamimidoyl)carbamate.
What is the SMILES notation for prop-2-enyl N-(N'-propan-2-ylcarbamimidoyl)carbamate?
The canonical SMILES for prop-2-enyl N-(N'-propan-2-ylcarbamimidoyl)carbamate is C=CCOC(=O)N/C(N)=N/C(C)C.
What is the InChIKey of prop-2-enyl N-(N'-propan-2-ylcarbamimidoyl)carbamate?
The InChIKey is RXENNJZCZAMXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-4-5-13-8(12)11-7(9)10-6(2)3/h4,6H,1,5H2,2-3H3,(H3,9,10,11,12).
What are the key properties of prop-2-enyl N-(N'-propan-2-ylcarbamimidoyl)carbamate?
prop-2-enyl N-(N'-propan-2-ylcarbamimidoyl)carbamate has a molecular weight of 185.23 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(N'-propan-2-ylcarbamimidoyl)carbamate is sourced from PubChem (CID 154984724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).