(E)-N-(4-cyanopyrrolidin-3-yl)pent-2-enamide

C10H15N3O — CID 131236668

IUPAC(E)-N-(4-cyanopyrrolidin-3-yl)pent-2-enamide
SMILESCC/C=C/C(=O)NC1CNCC1C#N
InChIInChI=1S/C10H15N3O/c1-2-3-4-10(14)13-9-7-12-6-8(9)5-11/h3-4,8-9,12H,2,6-7H2,1H3,(H,13,14)/b4-3+
InChIKeyHDGOUJKVIAQJQP-ONEGZZNKSA-N
MW193.25 g/mol
LogP0.18
Rot. Bonds3

About (E)-N-(4-cyanopyrrolidin-3-yl)pent-2-enamide

(E)-N-(4-cyanopyrrolidin-3-yl)pent-2-enamide (PubChem CID 131236668) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (E)-N-(4-cyanopyrrolidin-3-yl)pent-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-cyanopyrrolidin-3-yl)pent-2-enamide
PubChem CID131236668
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(E)-N-(4-cyanopyrrolidin-3-yl)pent-2-enamide
SMILESCC/C=C/C(=O)NC1CNCC1C#N
InChIInChI=1S/C10H15N3O/c1-2-3-4-10(14)13-9-7-12-6-8(9)5-11/h3-4,8-9,12H,2,6-7H2,1H3,(H,13,14)/b4-3+
InChIKeyHDGOUJKVIAQJQP-ONEGZZNKSA-N
XLogP0.18
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(1R,2R)-2-hydroxycyclobutyl]pent-2-enamide
CID 131231878
(E)-N-(cyanomethyl)pent-2-enamide
CID 131236211
(E)-4-(dimethylamino)-N-[(4R)-4-(methylamino)pyrrolidin-3-yl]but-2-enamide
CID 134219753
(E)-N-(azepan-4-yl)pent-2-enamide;hydrochloride
CID 131245624
(E)-4-(dimethylamino)-N-[(3R,4R)-4-(propan-2-ylamino)pyrrolidin-3-yl]but-2-enamide
CID 139477673
(4-ethylpyrrolidin-3-yl)carbamic acid
CID 174763111
(E)-N-[(3R,4R)-4-(pentan-2-ylamino)pyrrolidin-3-yl]but-2-enamide
CID 139477713
(E)-N-hydroxypent-2-enamide
CID 87376694
(E)-N-[(1R,2S)-2-[[(E)-octadec-2-enoyl]amino]cyclopropyl]octadec-2-enamide
CID 144516819
(E)-N-[(1R,2S)-2-[[(E)-heptadec-2-enoyl]amino]cyclopropyl]heptadec-2-enamide
CID 144516762
(E)-4-(dimethylamino)-N-[(3S)-piperidin-3-yl]but-2-enamide
CID 163525562
N-(3-hydroxypropyl)pent-2-enamide
CID 174776324

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-cyanopyrrolidin-3-yl)pent-2-enamide?
The IUPAC name of (E)-N-(4-cyanopyrrolidin-3-yl)pent-2-enamide (CID 131236668) is (E)-N-(4-cyanopyrrolidin-3-yl)pent-2-enamide.
What is the SMILES notation for (E)-N-(4-cyanopyrrolidin-3-yl)pent-2-enamide?
The canonical SMILES for (E)-N-(4-cyanopyrrolidin-3-yl)pent-2-enamide is CC/C=C/C(=O)NC1CNCC1C#N.
What is the InChIKey of (E)-N-(4-cyanopyrrolidin-3-yl)pent-2-enamide?
The InChIKey is HDGOUJKVIAQJQP-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-3-4-10(14)13-9-7-12-6-8(9)5-11/h3-4,8-9,12H,2,6-7H2,1H3,(H,13,14)/b4-3+.
What are the key properties of (E)-N-(4-cyanopyrrolidin-3-yl)pent-2-enamide?
(E)-N-(4-cyanopyrrolidin-3-yl)pent-2-enamide has a molecular weight of 193.25 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-cyanopyrrolidin-3-yl)pent-2-enamide is sourced from PubChem (CID 131236668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).