(Z)-3-amino-N-propan-2-ylbut-2-enamide

C7H14N2O — CID 55280984

IUPAC(Z)-3-amino-N-propan-2-ylbut-2-enamide
SMILESC/C(N)=C/C(=O)NC(C)C
InChIInChI=1S/C7H14N2O/c1-5(2)9-7(10)4-6(3)8/h4-5H,8H2,1-3H3,(H,9,10)/b6-4-
InChIKeyHSFTZVVVIWBGOJ-XQRVVYSFSA-N
MW142.20 g/mol
LogP0.37
Rot. Bonds2

About (Z)-3-amino-N-propan-2-ylbut-2-enamide

(Z)-3-amino-N-propan-2-ylbut-2-enamide (PubChem CID 55280984) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (Z)-3-amino-N-propan-2-ylbut-2-enamide.

Molecular Properties

Compound Name(Z)-3-amino-N-propan-2-ylbut-2-enamide
PubChem CID55280984
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(Z)-3-amino-N-propan-2-ylbut-2-enamide
SMILESC/C(N)=C/C(=O)NC(C)C
InChIInChI=1S/C7H14N2O/c1-5(2)9-7(10)4-6(3)8/h4-5H,8H2,1-3H3,(H,9,10)/b6-4-
InChIKeyHSFTZVVVIWBGOJ-XQRVVYSFSA-N
XLogP0.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-amino-N-(methylideneamino)but-2-enamide
CID 129066381
sodium N-propan-2-ylprop-2-enamide
CID 19004870
2,6-diaminohepta-2,5-dien-4-one
CID 74377910
sodium;hydride;N-propan-2-ylprop-2-enamide
CID 173347226
N-[(2R)-1-aminopropan-2-yl]-3-methylbut-2-enamide
CID 104873136
(Z,6R)-2-amino-6-hydroxyhept-2-en-4-one
CID 55285585
propane;(E)-N-propan-2-ylbut-2-enamide
CID 177014610
calcium;N-propan-2-ylcarbamothioate;carbamothioate
CID 118002432
ethyl (E)-3-amino-3-(propan-2-ylamino)prop-2-enoate
CID 88796370
(Z,4S)-4-amino-2-methyl-N-propan-2-ylpent-2-enamide
CID 11586505
(Z)-3-amino-N-[6-[[(Z)-3-aminobut-2-enoyl]amino]-2,5,5-trimethylhexyl]but-2-enamide
CID 88756785
2-amino-6-methylhepta-2,5-dien-4-one
CID 140829614

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N-propan-2-ylbut-2-enamide?
The IUPAC name of (Z)-3-amino-N-propan-2-ylbut-2-enamide (CID 55280984) is (Z)-3-amino-N-propan-2-ylbut-2-enamide.
What is the SMILES notation for (Z)-3-amino-N-propan-2-ylbut-2-enamide?
The canonical SMILES for (Z)-3-amino-N-propan-2-ylbut-2-enamide is C/C(N)=C/C(=O)NC(C)C.
What is the InChIKey of (Z)-3-amino-N-propan-2-ylbut-2-enamide?
The InChIKey is HSFTZVVVIWBGOJ-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5(2)9-7(10)4-6(3)8/h4-5H,8H2,1-3H3,(H,9,10)/b6-4-.
What are the key properties of (Z)-3-amino-N-propan-2-ylbut-2-enamide?
(Z)-3-amino-N-propan-2-ylbut-2-enamide has a molecular weight of 142.20 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-propan-2-ylbut-2-enamide is sourced from PubChem (CID 55280984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).