N'-[[(Z)-prop-1-enyl]amino]carbamimidoyl chloride

C4H8ClN3 — CID 175613156

IUPACN'-[[(Z)-prop-1-enyl]amino]carbamimidoyl chloride
SMILESC/C=C\N/N=C(\N)Cl
InChIInChI=1S/C4H8ClN3/c1-2-3-7-8-4(5)6/h2-3,7H,1H3,(H2,6,8)/b3-2-
InChIKeyCZCJAZPHKNXJJJ-IHWYPQMZSA-N
MW133.58 g/mol
LogP0.58
Rot. Bonds2

About N'-[[(Z)-prop-1-enyl]amino]carbamimidoyl chloride

N'-[[(Z)-prop-1-enyl]amino]carbamimidoyl chloride (PubChem CID 175613156) has the molecular formula C4H8ClN3 and a molecular weight of 133.58 g/mol. Its IUPAC name is N'-[[(Z)-prop-1-enyl]amino]carbamimidoyl chloride.

Molecular Properties

Compound NameN'-[[(Z)-prop-1-enyl]amino]carbamimidoyl chloride
PubChem CID175613156
Molecular FormulaC4H8ClN3
Molecular Weight133.58 g/mol
Exact Mass133.04
IUPAC NameN'-[[(Z)-prop-1-enyl]amino]carbamimidoyl chloride
SMILESC/C=C\N/N=C(\N)Cl
InChIInChI=1S/C4H8ClN3/c1-2-3-7-8-4(5)6/h2-3,7H,1H3,(H2,6,8)/b3-2-
InChIKeyCZCJAZPHKNXJJJ-IHWYPQMZSA-N
XLogP0.58
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.58
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-prop-1-enyl]thiourea
CID 71777626
[(E)-prop-1-enyl]hydrazine
CID 19898087
N-(3,3-dichloroprop-2-enoxy)prop-1-en-1-amine
CID 57060421
5-[(2E)-2-[(Z)-pent-3-en-2-ylidene]hydrazinyl]penta-2,4-dienethial
CID 174066266
1-(carbamothioylamino)-3-prop-1-enylthiourea
CID 87967428
1,1-dichloroprop-1-ene
CID 157073234
[amino(methoxy)methylidene]azanium
CID 12946830
(E)-3-amino-3-[2-[(Z)-prop-1-enyl]hydrazinyl]prop-2-enenitrile
CID 163747255
(E)-N'-aminobut-2-enimidamide
CID 142083872
3-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-amine
CID 142828314
1-methylidene-3-[(Z)-prop-1-enyl]urea
CID 142847691
N'-[(E)-1-amino-2-methoxyprop-1-enyl]carbamimidoyl chloride
CID 174159458

Frequently Asked Questions

What is the IUPAC name of N'-[[(Z)-prop-1-enyl]amino]carbamimidoyl chloride?
The IUPAC name of N'-[[(Z)-prop-1-enyl]amino]carbamimidoyl chloride (CID 175613156) is N'-[[(Z)-prop-1-enyl]amino]carbamimidoyl chloride.
What is the SMILES notation for N'-[[(Z)-prop-1-enyl]amino]carbamimidoyl chloride?
The canonical SMILES for N'-[[(Z)-prop-1-enyl]amino]carbamimidoyl chloride is C/C=C\N/N=C(\N)Cl.
What is the InChIKey of N'-[[(Z)-prop-1-enyl]amino]carbamimidoyl chloride?
The InChIKey is CZCJAZPHKNXJJJ-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H8ClN3/c1-2-3-7-8-4(5)6/h2-3,7H,1H3,(H2,6,8)/b3-2-.
What are the key properties of N'-[[(Z)-prop-1-enyl]amino]carbamimidoyl chloride?
N'-[[(Z)-prop-1-enyl]amino]carbamimidoyl chloride has a molecular weight of 133.58 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(Z)-prop-1-enyl]amino]carbamimidoyl chloride is sourced from PubChem (CID 175613156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).