N-[2-[[(E)-but-2-enoyl]amino]ethyl]cyclopropanecarboxamide

C10H16N2O2 — CID 115569712

IUPACN-[2-[[(E)-but-2-enoyl]amino]ethyl]cyclopropanecarboxamide
SMILESC/C=C/C(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C10H16N2O2/c1-2-3-9(13)11-6-7-12-10(14)8-4-5-8/h2-3,8H,4-7H2,1H3,(H,11,13)(H,12,14)/b3-2+
InChIKeyQXMZAFQVRPTEGW-NSCUHMNNSA-N
MW196.25 g/mol
LogP0.20
Rot. Bonds5

About N-[2-[[(E)-but-2-enoyl]amino]ethyl]cyclopropanecarboxamide

N-[2-[[(E)-but-2-enoyl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 115569712) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-[2-[[(E)-but-2-enoyl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[(E)-but-2-enoyl]amino]ethyl]cyclopropanecarboxamide
PubChem CID115569712
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-[2-[[(E)-but-2-enoyl]amino]ethyl]cyclopropanecarboxamide
SMILESC/C=C/C(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C10H16N2O2/c1-2-3-9(13)11-6-7-12-10(14)8-4-5-8/h2-3,8H,4-7H2,1H3,(H,11,13)(H,12,14)/b3-2+
InChIKeyQXMZAFQVRPTEGW-NSCUHMNNSA-N
XLogP0.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 32968682
N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide
CID 115575200
(E)-N-(cyclopropylmethyl)but-2-enamide
CID 22978312
methyl (E)-3-[2-(cyclopropanecarbonylamino)ethylamino]prop-2-enoate
CID 103265522
N-[2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 32969433
(E)-N-(3,3-dimethylbutyl)but-2-enamide
CID 115580737
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
N-[2-(methylamino)ethyl]cyclobutanecarboxamide
CID 62659847
N-[2-(cyclopropylamino)ethyl]hexa-2,4-dienamide
CID 76948154
(E)-N-(4-pyrrolidin-1-ylbutyl)but-2-enamide
CID 110459707
N-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide
CID 115733623
N-[(E)-pent-3-enyl]piperidine-4-carboxamide
CID 115976386

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-but-2-enoyl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[(E)-but-2-enoyl]amino]ethyl]cyclopropanecarboxamide (CID 115569712) is N-[2-[[(E)-but-2-enoyl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[(E)-but-2-enoyl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[(E)-but-2-enoyl]amino]ethyl]cyclopropanecarboxamide is C/C=C/C(=O)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[[(E)-but-2-enoyl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is QXMZAFQVRPTEGW-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-3-9(13)11-6-7-12-10(14)8-4-5-8/h2-3,8H,4-7H2,1H3,(H,11,13)(H,12,14)/b3-2+.
What are the key properties of N-[2-[[(E)-but-2-enoyl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[(E)-but-2-enoyl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-but-2-enoyl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115569712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).